Understanding the Functions of HMGB Proteins in the Mechanism of Action of Cisplatin by Semi Park B.S. Chemistry Seoul National University, 2007 SUBMITTED TO THE DEPARTMENT OF CHEMISTRY IN PARTIAL FULFILLMENT OF THE REQUIREMENTS FOR THE DEGREE OF DOCTOR OF PHILOSOPHY IN INORGANIC CHEMISTRY AT THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY gggHyV SITUTE September 2012 © Massachusetts Institute of Technology, 2012 All rights reserved Signature of Author: Department of Chemistry July 31, 2012 Certified by: J St~phenJ Lippard Arthur Amos Noyes Professor of Chemistry Thesis Supervisor I ~ Accepted by: Robert W. Field Chairman, Departmental Committee on Graduate Studies This doctoral thesis has been examined by a committee of the Department of Chemistry as follows: Ifaniel G. Nocera Henry Dreyfus Professor of Chemistry Committee Chairman 0 Stfien J. Lippard Arthur Amos Noyes Professor of Chemistry Thesis Supervisor (Ice Y. Ting Ellen Swallow Richards Associate Professor mistry 2 Understanding the Functions of HMGB Proteins in the Mechanism of Action of Cisplatin By Semi Park Submitted to the Department of Chemistry on August XX, 2012 In Partial Fulfillment of the Requirements for the Degree of Doctor of Philosophy in Chemistry ABSTRACT High mobility group box (HMGB) proteins are DNA-binding proteins that regulate many important DNA-related processes. They are known to recognize the major lesion present in cisplatin-modified DNA, and have been assumed to increase cisplatin cytotoxicity by "shielding" the damaged site from the cellular repair apparatus. This thesis will describe the work in the area of molecular biology and biochemistry to improve our understanding of the functions of HMGB proteins in the mechanism of action of cisplatin. In Chapter 1, the molecular biology of cisplatin and HMGB proteins is described based on previously reported in vivo and in vitro experiments. The interaction of HMGB proteins and platinated DNA is reviewed based on several structural studies of platinum-DNA adducts of cisplatin, HMG box motif, and the binding complex of the two. Several cell-based studies supporting a repair-shielding hypothesis, suggesting an inhibitory function of HMGB proteins in the repair of cisplatin damage will be introduced with a focus on HMGB1, the most vigorously investigated HMGB protein. Additionally, other HMGB 1-mediated processes that may be related to cisplatin-triggered cell death will be discussed. Lastly, the correlation between testis-specific HMGB proteins and the cisplatin hypersensitivity of testicular germ cell tumors will be discussed. Although some HMGB proteins including HMGB 1 inhibit the repair of platinated damage on DNA in vitro, experiments conducted in live cells reveal conflicting correlation between the expression level of HMGB1 and cisplatin cytotoxicity. Chapter 2 describes studies in cultured human cancer cells aimed at examining the intracellular repair of platinum-modified DNA and the influence of HMGB1 on the repair processes. The expression of HMGB1 is artificially down-regulated by RNAi. HeLa and A549 cell lines present different trends in cisplatin cytotoxicity upon HMGB1 knockdown. Intracellular repair of cisplatin is lower in knockdown cells regardless of the parental cell line. This result stands in opposition to what is expected from the repair-shielding hypothesis. In addition, the repair of different cisplatin adducts was investigated in fibroblast cells deficient in one of the nucleotide excision repair proteins in order to understand the repair mechanisms of each adduct. Chapter 3 presents an in vitro study investigating the redox-dependence of the binding interaction of HMGB1 to the cisplatin-1,2-d(GpG) intrastrand cross-link. Two cysteine residues in HMGB1 domain A form a reversible disulfide bond under mildly oxidizing conditions. Both 3 HMGB 1 domain A and full-length HMGB 1 presented significantly weaker binding to a DNA probe containing a 1,2-d(GpG) intrastrand cross-link when in their oxidized state compared to their fully-reduced form. Mutagenesis studies on the cysteine residues revealed that this redoxdependence originates from disulfide bond formation. Footprinting analysis of a platinated DNA probe bound to oxidized or reduced domain A showed that the asymmetric binding mode of domain A to platinated DNA is not significantly altered by oxidation. These results suggest that the cellular redox environment can influence the interaction of HMGB 1 with the platinated DNA. In Chapter 4, the binding properties and repair inhibitory function of HMGB4 to cisplatin-modified DNA are described. Based on its testis-restricted expression profile and sequence similarity with HMGB 1, we propose that HMGB4 functions as a cisplatin cytotoxicity enhancer in TGCT. To verify this hypothesis, HMGB4 and its binding domains were generated recombinantly and interactions with cisplatin-modified DNA were investigated in vitro. The binding properties of HMGB4 are quite similar to those of HMGB 1 except for a few differences: i) full-length HMGB4 has stronger binding affinity than full-length HMGB1, because of a lack of a C-terminal acidic tail. ii) binding of HMGB4 domain A is much more symmetric with respect to the platinated lesion than that of HMGB 1 domain A. Furthermore, HMGB4 presented stronger repair inhibition capacity than HMGB1 at an equimolar concentration. These results support the hypothesis that HMGB4 enhances cisplatin cytotoxicity in TGCT. Chapter 5 will be the conclusion chapter of this thesis. Works in this thesis will be summarized with what we can learn from those results. In additions, future directions in the study of HMGB proteins will be suggested. Appendices A and B describe the incomplete work on HMGB4 in live cells. Appendix A delineates the expression profile of human HMGB4 established by western blot analysis. Human HMGB4 presented a testis-preferred expression. In Appendix B, attempts to establish a HMGB4 knockdown testicular cancer cell line are described. Thesis Supervisor: Stephen J. Lippard Title: Arthur Amos Noyes Professor of Chemistry 4 Acknowledgments I remembered how excited I was on my first day at MIT, with the expectation of the wonderful days I would have at this place. The last five years at MIT have been filled with exciting experiences that have far exceeded my expectations on that first day. There are many individuals who have made my MIT life much more fruitful. At the end of my journey towards my PhD, I am grateful for what I have achieved to the awesome people I have interacted with over the last five years. First, I would like to thank Prof. Stephen Lippard for giving me an opportunity to work on this interesting project. It was a great pleasure to work in the Lippard Lab, where I could learn about the different kinds of chemistry research. Prof Lippard is an amazing advisor who knows how to guide each of his students in the best way, and he is a great role model as a scientist whose commitment to science will never run out. I also admire Prof. Daniel Nocera and Prof. Alice Ting for their commitment as committee members and the valuable suggestions they have provided for my research. I am very lucky to have had not only such a great advisor and committee members but also amazing people to work with. Dr. Katherine Lovejoy was a talented mentor who helped me when I was literally a novice in bioinorganic chemistry. I also received much help from Dr. Ryan Todd when I was working on various experiments involving DNA and PAGE gel works. Dr. Guangyu Zhu has been a reliable colleague during my days at MIT, and I would like to thank him for giving me a chance to consider consulting as my next step. Thank you, Dr. Shanta Dhar and Dr. Wee Han Ang, my good friends with whom I spent most of my early days in the Lippard Lab. I owe a lot to Dr. Nora Graf, the most warm-hearted person I met in MIT, who encouraged me when I going through a hard time. Dr. Yongwon Jung gave me valuable advice on EMSA and footprinting experiments. I am grateful to Dr. Yang Li for all the valuable discussions on science and history and the lots of coffee. Thank you to Dr. Woon Ju Song and Dr. Rachel Wollacott for the training and advice on protein chemistry. I am appreciative of all valuable discussion and suggestions on my research that the Platinum Subgroup provided. Specifically, I would like to express my gratitude to Justin Wilson and Tim Johnstone for their enormous help in improving my writing. Dr. Ying Song and Dr. Patricia Marques-Gallego are really good friends and social events organizers who made my 5 days in the Lippard Lab quite exciting. Thank you to Dr. Ga Young Park and Dr. Yaorong Zheng for helping me manage tissue culture facilities and to Meiyi Li for her help on the repair study. I thank Julia, now Dr. Kozhukh, for being an awesome class/lab-mate for the last five years. Two have been always better than one. All the steps I took in pursuing my PhD would have been much more difficult if I had not had a good lab-mate like Julia. Thank you to Dr. Shawn Lu, who was not only a nice lab-mate but also a good coffee-mate, for all the valuable discussion on biochemistry. Thank you to Dr. Seung Jae Lee, for your help in protein chemistry. I thank Ali Liang and Eric Victor, who always reminded me of how fun life could be when I was having a gloomy day. Thank you to Dr. Ulf Apfel and Dr. Amit Majumdar for showing me how good friends make lab life so happy. Thank you to Dr. Robert Radford, for his help on my thesis. I also thank all Lippard Lab members for being awesome colleges to work with. I thank Rich Girardi, who saved me countless times from troubles on all different kinds of paperwork. Thank you to Susan Brighton, former chemistry education officer, for her help in fulfilling the PhD requirements. Sometimes, I have faced problems in research because of lack of my knowledge and experience in an unfamiliar field. I would like to thank my friends in the biology and chemistry society in Cambridge and Boston for being a big help on many of the troubleshooting processes I that encountered during my thesis studies. Specifically, I received a lot of help from BAWI, the alumni association of Seoul Science High School. I thank my parents, Myungsun Park and HyeJung Kim, and my brother, Jihwan Park. They have always respected my decisions and have been my biggest supporters at every single moment. I appreciate their unconditional love. In addition to my PhD work, none of the things I have achieved in my life would have been possible without them. 6 Table of Contents Abstract 3 Acknowledgments 5 Table of Contents 7 List of Tables 12 List of Figures 13 Glossary of Terms 16 Chapter 1. HMGB Proteins and Cisplatin 18 1.1. Introduction 19 1.2. Molecular Mechanism of Cisplatin 21 1.2.1. DNA, the Major Target of Cisplatin 21 1.2.2. Structure of Cisplatin-Modified DNA 22 1.2.3. Nucleotide Excision Repair of DNA Damage 23 1.3. Repair-Shielding Model of HMGB Proteins 26 1.3.1. Damage Recognition Proteins of Cisplatin-Modified DNA 26 1.3.2. High Mobility Group Box Proteins 26 1.3.3. HMGB Proteins and Cisplatin-Modified DNA 28 1.4. Nature of HMGB 1 and its HMG Boxes Binding to Cisplatin-Platinated DNA 30 1.4.1. Structure of HMGB 1 and Homologous HMGB Proteins 30 1.4.2. Two HMG Box Domains in HMGB 1: Different Nature of Binding to DNA 31 1.4.3. Structure of Complexes of HMG Boxes with Cisplatin-Modified DNA 32 1.4.4. Function of the C-terminal Acidic Tail 35 1.5. Cellular Studies 36 1.6. Function of HMGB1 in Processes Other than Repair 37 1.6.1. Interaction of HMGB 1 with Intracellular Proteins 39 1.6.2. HMGB 1, an Extracellular Damage Associated Molecular Pattern (DAMP) 41 1.7. Testicular Cancer, Cisplatin, and HMGB Proteins 42 1.7.1. Cisplatin Hypersensitivity of Testicular Germ Cell Tumors (TGCTs) 42 1.7.2. HMGB Proteins in TGCT 43 1.8. Summary 45 7 1.9. References 46 Chapter 2. Effect of HMGB1 on NER of Platinated DNA in Cells 51 2.1. Introduction 52 2.2. Experimental 55 2.2.1. Cell Culture 55 2.2.2. Knockdown of HMGB 1 in HeLa and A549 Cells by Transfection of ShRNA-Expression Vector 55 2.2.3. Western Blot 57 2.2.4. Immunofluorescence 58 2.2.5. Cytotoxicity Assay 58 2.2.6. Preparation of Platinated pGLuc Plasmids 59 2.2.7. Transcription Assay 60 2.3. Results 61 2.3.1. Establishment of HMGB 1 knockdown HeLa and A549 61 2.3.2. Cisplatin Sensitivity of HMGB1 Knockdown Cell Lines 63 2.3.3. Restoration of the Transcription Level of Platinated Plasmid in Knockdown Cells 65 2.3.4. Cisplatin and Phenanthriplatin Cytotoxicity in NER Proficient/Deficient Fibroblast Cell Lines 68 2.3.5. Repair Profiling of Different Platinum-DNA Adducts in NER Proficient/Deficient Cell Lines 69 2.4. Discussion 71 2.4.1. Cellular Response to Cisplatin in HMGB1 Knockdown HeLa and A549 Cells 71 2.4.2. Damage Repair Processes and HMGB 1 72 2.4.3. NER of Different Types of Platinum Adducts 74 2.5. Summary 77 2.6. References 79 Chapter 3. Redox State-Dependent Interaction of HMGB1 and Cisplatin-Modified DNA 81 3.1. Introduction 82 3.2. Experimental 85 8 3.2.1. Expression and Purification of HMGB 1 Proteins 85 3.2.2. Platination, Purification, and Characterization of 25-bp DNA Probes 86 3.2.3. Electrophoretic Mobility Shift Assays 89 3.2.4. Hydroxyl Radical Footprinting Assay 90 3.3. Results 91 3.3.1. Binding Affinity of Wild Type HMGBla to Platinated DNA Under Different Redox Conditions 91 3.3.2. Site-Directed Mutagenesis of Cysteine Residues 93 3.3.3. Hydroxyl Radical Footprinting 96 3.3.4. Studies of Full-Length HMGB 1 98 3.3.6. Redox-Dependence of the Binding of Full-length HMGB1 to Cisplatin-Modified DNA 99 3.4. Discussion 102 3.4.1. Interaction of Cisplatin-Modified DNA with HMGB 1a in Different Redox States 102 3.4.2. Change of HMGBla Conformation Induced by Disulfide Bond Formation and Protein Interaction with DNA 103 3.4.3. Influence of Cysteines on Conformation of HMGBla 104 3.4.4. Binding Properties of Reduced and Oxidized Full-Length HMGB1 and its Variants 105 3.4.5. In Vivo Redox Chemistry of HMGB1 106 3.5. Conclusion 108 3.6. References 109 Chapter 4. HMGB4, a Potential Enhancer of Cisplatin in Testicular Germ Cell Tumors 111 4.1. Introduction 112 4.2. Experimental 114 4.2.1. Cloning and Expression of HMGB4 Proteins 114 4.2.2. Preparation of 25-bp Site-Specifically Platinated DNA Probes 115 4.2.3. Preparation of a Repair Assay Substrate 115 4.2.4. Nucleotide Excision Repair Assay 117 4.2.5. Electrophoretic Mobility Shift Assay 117 4.2.6. Hydroxyl Radical Footprinting 118 4.3. Results 118 9 4.3.1. Expression and Solubility of HMGB4 Proteins 118 4.3.2. Binding of HMGB4 Proteins to Platinated DNA 119 4.3.3. Binding Affinities of Wild Type HMGB4 and its F37A Variant 122 4.3.5. Weak Asymmetry of HMGB4 Binding to a 1,2-Intrastrand Cross-Link 123 4.3.6. Repair Inhibitory Capacity of HMGB4 Proteins 125 4.4. Discussion 129 4.4.1. Natural Functions of Testis-Specific HMGB Proteins and Their Interaction with Cisplatin129 Modified DNA 4.4.2. Information about the Sequence of HMGB4 Relevant to its Binding Interaction with 130 Cisplatin-Modified DNA 131 4.4.3. Binding Affinity and Binding Specificity of HMGB4 to Platinated DNA 4.4.4. Function of Intercalating Residues and Their Influence on the Structure of the Platinated DNA-Protein Complex 133 4.4.5. Repair Inhibition by HMGB Proteins 135 4.4.6. HMGB4, Cisplatin, and Testicular Cancer 135 4.5. Conclusion 136 4.6. References 138 Chapter 5. Summary and Future Directions 140 5.1. Summary and Future Directions 141 5.2. References 143 Appendix A. Expression Profiling of Human HMGB4 144 A. 1. Purpose 144 A.2. Experimental 144 A.2.1. Cell Culture 144 A.2.2. Western Blot Analysis 144 A.3. Results and Discussion 145 A.3.1. Expression Profile of Human HMGB4 in Cancer Cell Lines 145 A.3.2. Future Directions 146 A.4. References 146 10 Appendix B. Attempts to Knockdown of HMGB4 in NTera2 147 B.1. Purpose 147 B.2. Experimental 147 B.2. 1. HMGB4 Knockdown in NTera2 by Transfection of shRNA Expression Vector 147 B.2.2. HMGB4 Knockdown in NTera2 by Viral Transduction 147 B.3. Results and Discussion 148 B.3.1. Expression Levels of HMGB4 in Stably Transfected Cell Lines 148 B.3.2. Viral Transduction for HMGB4 Knockdown 149 B.3. Future Directions 150 B.4. References 151 Biography 152 Curriculum Vitae 153 11 List of Tables Table 2.1 .Fibroblast Cell Lines Used for Repair Studies 55 Table 2.2. List of Stably Established HeLa and A549 Cell Lines and Their RNAi Efficiency 62 Table 2.3. IC50 Values of HMGB1 Knockdown HeLa and A549 Cell Lines 65 Table 2.4.Cisplatin and Phenanthriplatin IC50 Values of Each Fibroblast Cell Line 69 Table 2.5. The Change of Cellular Response to Cisplatin in HMGB1 Knockdown Cell Lines and Expected Results Based on the Repair-Shielding Model 71 Table 3.1. Sequence of 25mer Oligonucleotides with Different Types of Cisplatin Binding Sequences 87 - Table 3.2. Dissociation Constants of Wild-Type and Variants of Domain A Binding to a 25-bp Double-Stranded DNA Probe Containing a Site-Specific 1,2-d(GpG) Cross-Link as Determined 95 by Electrophoretic Mobility Shift Assays Table 3.3. Dissociation Constants of Wild-Type and Variants of Full-Length HMGB1 Binding to a 25-bp Double-Stranded DNA Probe Containing a Site-Specific 1,2-d(GpG) Cross-Link as Determined by Electrophoretic Mobility Shift Assays 100 Table 4.1. Dissociation Constants of HMGB Proteins and Their Variants for DNA Probes Containing a Central Cisplatin 1,2-d(GpG) Intrastrand Cross-Link 122 Table 4.2. Fraction of Repair Product of a Cisplatin-1,2-Intrastrand d(GpG) Cross-Linked DNA in the Presence of Different Concentrations of HMGB Proteins 128 Table B. 1. List of pLKO l-Transfected NTera2 Cell Lines 147 Table B.2. List of Viral-Transduced NTera2 Cell Lines 148 12 List of Figures Figure 1.1. Platinum-based compounds showing antineoplastic activity 20 Figure 1.2. Structure of different types of platinated DNA 23 Figure 1.3. The general mechanism of nucleotide excision repair 25 Figure 1.4. The solution NMR structures of HMGB 1 domain A and domain B 28 Figure 1.5. Sequences of human HMGB1-4 31 Figure 1.6. The crystal structure of the complex of HMGB1 domain A with cisplatin1,2-d(GpG) intrastrand cross-linked DNA 34 Figure 1.7. Cellular functions of HMGBl presumably related to cisplatin-triggered cell death 38 Figure 2.1. Diagram of GLuc transcription assay using platinated substrates 54 Figure 2.2. HMGB1 knockdown efficiency analyzed by western blotting 62 Figure 2.3. Immunofluorescence results of HMGB1 knockdown HeLa in homogeneous populations 63 Figure 2.4. Cisplatin cytotoxicity assay of HMGB 1 knockdown cell lines 64 Figure 2.5. Transcription profile of globally platinated pGLuc probe in heterogeneous knockdown HeLa 66 Figure 2.6. Transcription profile of globally platinated pGLuc probe in heterogeneous knockdown A549 67 Figure 2.7. Transcription profile of globally platinated probes in homogeneous HMGB1 knockdown A549 Cl1 and parental A549 68 Figure 2.8. Cisplatin and phenanthriplatin cytotoxicity of NER proficient/deficient fibroblast cell lines and control fibroblast cell line 69 Figure 2.9. Transcription profile of site-specifically platinated probes in NER proficient/deficient cell lines 70 Figure 3.1. X-ray crystal structure of the complex between HMGB1 domain A and a 16-bp cisplatin-modified DNA under reducing conditions 84 Figure 3.2. Ion exchange HPLC purification of platinated 25mer oligonucleotides 88 Figure 3.3. S1 nuclease digestion of platinated 25mer oligonucleotides 89 Figure 3.4. EMSA analysis of wild type HMGB1a binding to the different DNA probes 92 Figure 3.5. EMSA analysis of wild type HMGBla bound to the cisplatin-modified DNA probe under different redox conditions 93 13 Figure 3.6. The influence of reducing reagent on the binding of HMGB 1a to cisplatin-modified 94 DNA Figure 3.7. Footprinting analysis of HMGB1 domain A bound to the cisplatin-modified DNA 97 probe Figure 3.8. EMSA analysis of wild type domain A binding to cisplatin-modified DNA probe, incubated in the presence of the reagents used to generate hydroxyl radicals 98 Figure 3.9. SDS-PAGE analysis of full-length HMGB1 in different redox states 99 Figure 3.10. EMSA analysis of full-length HMGB1 and its variants bound to the cisplatinmodified DNA probe 101 Figure 4.1. Sequences and structures of DNA binding motifs in HMGB 1 and HMGB4 113 Figure 4.2. Preparation of in vitro NER substrates 116 Figure 4.3. Purified full-length HMGB4 and its DNA binding domains resolved in 4-20% gradient SDS gels 119 Figure 4.4. EMSA analysis of HMGB4 and HMGB4a bound to different probes 120 Figure 4.5. Binding preference of full-length HMGB4 and its DNA-binding domains to the 121 cisplatin-modified DNA probe Figure 4.6. EMSA analysis of HMGB4 proteins and their F37A variants binding to platinated 123 DNA Figure 4.7. Footprinting analysis of DNA-binding domains of HMGB 1 and HMGB4 bound to 124 the cisplatin-modified DNA probe Figure 4.8. Footprinting analysis of HMGB 1 domain A and full-length HMGB4 proteins bound to a cisplatin-modified DNA probe 125 Figure 4.9. Nucleotide excision repair products resolved on a 8%urea-PAGE gel 126 Figure 4.10. Excision of a cisplatin- 1,2-intrastrand d(GpG) cross-link by active repair extracts in 127 the presence of HMGB 1 or HMGB4 Figure 4.11. Effect of HMGB4 domain A on excision of a cisplatin 1,2-intrastrand d(GpG) cross128 link Figure 4.12. X-ray crystal structure of the complex of the HMGB1 domain A and a 16-bp DNA probe containing a cisplatin 1,2-intrastrand cross-link 131 Figure A. 1. Western blot analysis of human HMGB4 145 14 Figure B. 1. Western blot analysis of HMGB4 in NTera2 cells transfected by pLKO 1 shRNA expression vectors 145 Figure B.2. Flow cytometry analysis of GFP expression in viral transduced NTera2 cells 150 Figure B.3. Western blot analysis of NTera2 cells transduced by viral particle with HMGB4 150 shRNA gene 15 Abbreviations BER bp BSA carboplatin. CFE cisplatin CS DAMP DEAE DNA-PK DRP DSBR DTT EC EDTA EMSA ER ERCC1 ERE ESI-MS FBS GAPDH GGR Gluc HBP1 HDR HMG HMGA HMGB HMGN HPLC IAP ICL IxrI LEF-1 MAPK MEF MMR MTT mtTFA MutSa NER NF-idB NHEJ base excision repair base pair bovine serum albumin cis-diammine(1, 1-cyclobutanedicarboxylato)platinum(II) cell free extract cis-diamminedichloroplatinum(II) Cockayne syndrome damage associated molecular pattern diethylaminoethyl cellulose DNA-dependent protein kinase damage recognition protein double strand break repair dithiothreitol embryonal carcinomas ethylenediaminetetraacetic acid electrophoretic mobility shift assay estrogen receptor excision repair cross complementation group 1 estrogen responsive element electrospray ionization mass spectrometry fetal bovine serum glyceraldehyde 3-phosphate dehydrogenase global genome repair Gaussian luciferase HMG-box transcription factor 1 homology-directed repair high mobility group high mobility group AT-hook high mobility group box high mobility group nucleosome binding domain high performance liquid chromatography inhibitors of apoptosis protein interstrand cross-link intrastrand cross-link recognition I lymphoid enhancer-binding factor 1 mitogen-activated proteins kinase mouse embryonic fibroblast mismatch repair [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide] mitochondrial transcription factor A mutator Sa nucleotide excision repair nuclear factor KB non-homologous end joining 16 NHP6A Ni-NTA oxaliplatin PBS PAGE PCNA PDIA3 phenanthriplatin RNA Pol II PMSF PNK PVDF pyriplatin RAG RAGE RB RNAi RPA SDS shRNA SRY SSRP1 TBE TBP TBS TCR TFIIH TGCT TLR trans-DDP tsHMG UBF XP non-histone chromosomal protein 6A nickel-nitrilotriacetate (1R,2R-diaminocyclohexane)oxalatoplatinum(II) phosphate buffered saline polyacrylamide gel electrophoresis proliferating cell nuclear antigen protein disulfide isomerase family A, member 3 cis-diammine(phenanthridine)chloroplatinum(II) RNA polymerase II phenylmethylsulfonylfluoride polynucleotide kinase polyvinylidene fluoride cis-diammine(pyridine)chloroplatinum(II) recombination activating gene receptor for advanced glycation end product retinoblastoma RNA interference Replication protein A sodium dodecyl sulfate short-hairpin RNA sex-determining region Y structure-specific recognition proteins 1 Tris/Borate/EDTA TATA binding protein Tris-buffered saline transcription coupled repair transcription factor II H testicular germ cell tumor toll-like receptor trans-diamminedichloroplatinum(II) testis specific HMG upstream transcription factor xeroderma pigmentosum 17 Chapter 1. HMGB Proteins and Cisplatin 18 1.1. Introduction Cisplatin is one of the most widely prescribed anticancer drugs. Even though it was reported more than one and half centuries ago as "Peyrone's salt", the biological activity of cisplatin was not realized until Barnett Rosenberg serendipitously observed inhibition of E.coli cell division at platinum electrodes. 1 This effect was later revealed to be due to cisplatin produced by electrolysis. Following FDA approval in 1978, cisplatin has come to be prescribed as the standard therapy for diverse types of cancers, such as testicular, ovarian, head and neck, cervical, bladder, and non-small cell lung, usually in combination with other anticancer reagents. 2 The success of cisplatin created a new category of drugs based on metal ions.3 Although cisplatin is one of the most effective antitumor drugs, it has significant problems that restrict its clinical use or cause negative outcomes following treatment. Since it was first introduced into the clinic, side effects such as nausea, vomiting, ototoxicity, nephrotoxicity, and neurotoxicity have 5,6 been continuously reported. ' Another problem is the resistance to cisplatin that cancer cells can develop. ' As well as intrinsic resistance of specific types of cancer, tumors initially presenting an acute response to cisplatin can develop drug resistance over the course of treatment. Attempts to overcome these drawbacks have focused mainly on two goals: i) developing new platinum-based anticancer drugs with better cytotoxicity and/or fewer side effects and ii) understanding the molecular mechanism of cisplatin to improve the efficiency of its chemotherapy. As a consequence of studies in the first category, numerous platinum-based anticancer drug candidates have been prepared and evaluated, including two FDA-approved compounds, carboplatin and oxaliplatin (Figure 1.1).9 Carboplatin presents a cytotoxicity profile similar to 19 that of cisplatin with fewer side effects.'10 11 In particular, the dose limiting toxicity of carboplatin no longer arises from nephrotoxicity as with cisplatin.12'13 Oxaliplatin is active in colorectal , cancers having intrinsic resistance to cisplatin.14 15 Pt 1 H3N O 0 H3N CI H3N H2 1Pt H3N Cl .Pt O ON H2 00 Oxaliplatin Carboplatin Cisplatin 0 0 0 H3NI H3N CI CHC12 H3 N +1 PtPt CI H3N N- O C 2HC 1 0 Mitaplatin Pyriplatin Figure 1.1. Platinum-based compounds showing antineoplastic activity. Cisplatin, carboplatin, and oxaliplatin are traditional bifunctional platinum(II) compounds approved by the FDA for clinical use. Platinum(IV) prodrugs like 17 16 mitaplatin or monofunctional platinum(II) compounds like pyriplatin are new types of drug candidates that present promising properties for improved chemotherapy. In addition to bifunctional platinum(II) compounds like cisplatin, recent studies have focused on non-traditional platinum compounds, such as platinum(IV) compounds or monofunctional platinum(II) compounds. Platinum(IV) compounds are kinetically inert prodrugs with two added axial ligands. Such compounds can remain in the +4 oxidation state under extracellular conditions and be reduced to the "active" Pt(II) form only upon entering cells. It is also possible to introduce the tumor-selectivity into the compounds by adding targeting moieties at the axial positions.18 ' 19 Cytotoxicity can be increased by incorporating units that potentiate cisplatin activity at the axial positions. 16 Monofunctional platinum compounds, like pyriplatin, 20 form monoadducts on DNA as opposed to DNA cross-links characteristic of traditional bifunctional compounds. 17 ,2 0 This class of compounds exhibits a cytotoxicity profile quite distinct from that of cisplatin.2 1 Molecular biology and biochemistry studies have helped to construct a picture of the antitumor mechanism of cisplatin from uptake to cell death.22 Although much work has been done, there remain many questions about the different steps of the mechanism. Compared to the activation and DNA binding processes that occur early in the action of cisplatin, downstream events triggered by platinum damage are less well understood, due to the complexity of the cellular system. Several damage recognition proteins (DRPs) recognize DNA distorted by platination.23,24 They are considered to affect the repair of cisplatin damage or to initiate damagetriggered cell death. The present thesis focuses on high mobility group box (HMGB) proteins, which recognize cisplatin-modified DNA. In this chapter, the general molecular mechanism of cisplatin, the properties of HMGB proteins, and the relation of cisplatin to HMGB proteins will be discussed. The involvement of HMGB proteins in "repair-shielding hypothesis" will be described in detail. Various possible roles of HMGB proteins in the mechanism of action of cisplatin will be presented. The possibility that some HMGB proteins act as enhancers of cisplatin cytotoxicity in testicular germ cell tumors (TGCTs), which are cisplatin hypersensitive, will be discussed. 1.2. Molecular Mechanism of Cisplatin 1.2.1. DNA, the Major Target of Cisplatin 21 Many studies using various methods have focused on one very fundamental question: What are the intracellular interaction partners/reaction products that result in apoptotic/necrotic cell death following treatment with cisplatin? These studies revealed that the major target of platinum-based compounds is DNA, and they identified several proteins that might be involved in intracellular pathways triggered by platinated DNA.2 6-28 After the uptake of cisplatin into cells from the extracellular matrix, the relatively low concentration of chloride ions in the intracellular environment promotes replacement of chloride ligands with water molecules. 29 The resulting aquated forms of the platinum compound are labile enough to undergo further ligand replacement by nucleophilic cellular components. According to a 195Pt NMR study of the cisplatin binding kinetics, the formation of cross-links occurs by two successive processes.30 The half life of the first process, the formation of a cisplatin monofunctional adduct bound to the N7 position of a purine base, is about 2 h at 37 'C and pH 6.5. This value is in agreement with the rate of replacement of the first chloride ligand with a water molecule, suggesting that this aquation step is the rate-determining step of the monofunctional adducts formation. Subsequent formation of bifunctional adducts occurs on a similar time scale (tu/2 = 2 h). Kinetic analysis revealed that, despite the proximity of the other bases, the closure of mono- to bifunctional adducts under in vitro conditions occurs via the aquation of monofunctional adducts rather than the direct replacement of remaining chloride ligand with an adjacent DNA base.30 Cisplatin mainly forms 1,2-intrastrand d(GpG) or d(ApG) cross-links, accounting for 65% and 25% of total platinum-DNA adducts, respectively. It also produces 5-10% 1,3-intrastrand d(GpNpG) 3 132 cross-links and residual amounts of interstrand cross-links and monofunctional adducts. , 1.2.2. Structure of Cisplatin-Modified DNA 22 The formation of a platinum cross-link causes a significant distortion in the DNA structure. Both 1,2- and 1,3-intrastrand cross-links induce significant unwinding of DNA around , the platinum binding site and bending of the DNA toward the major groove (Figure 1.2.A,B).33 34 The X-ray crystal structure of a 1,2-intrastrand cross-linked DNA revealed a unique hybrid of A- type DNA-like structure at the 5'-side and B-type DNA-like structure at the 3'-side of the platinated guanines. 35 Solution phase NMR studies showed the presence of only B-type DNA and a larger degree of DNA bending than in crystal structure.33,36 The interstrand cross-link of cisplatin causes the DNA to bend toward the minor groove (Figure 1.2.C).37 Monofunctional platinum adducts do not significantly alter the DNA structure (Figure 1.2.D). 38 It is generally accepted that cyototoxic pathways triggered by cisplatin-DNA adducts are initiated by recognition of the distorted DNA structure by damage recognition proteins. (A) (B) (C) (D) Figure 1.2. Structure of different types of platinated DNA. Solution structure of a 1,2-intrastrand cross-linked 12mer (A), a 1,3-intrastrand cross-linked 13mer (B), and an interstrand cross-linked 10mer (C) DNA duplex of cisplatin from NMR data and (D) X-ray crystal structure of 16mer DNA duplex bearing a pyriplatin monoadduct. 1.2.3. Nucleotide Excision Repair of DNA Damage Nucleotide excision repair (NER) is one of the main DNA damage repair mechanisms of cellular systems. NER is involved in the repair of cisplatin 1,2-intrastrand, 1,3-intrastrand, and 23 interstrand cross-links.39 4 2 In addition, recent in vitro repair and intracellular transcription assays showed that NER can repair DNA bearing a monofunctional pyriplatin adduct.38 The high cisplatin sensitivity of cells deficient in NER components such as xeroderma pigmentosum (XP) and Cockayne syndrome (CS) cells reflects the importance of NER in repair of platinated DNA. 4 3,44 The NER process comprises recognition, DNA unwinding, damaged-strand excision, and restoration. 4 5 There are two sub-pathways of NER, transcription coupled repair (TCR) and global genomic repair (GGR), which differ in the way that the damage is recognized (Figure 1.3). In the GGR mechanism, the xeroderma pigmentosum group C (XPC)- human homologue of RAD23B (hHR23B) complex senses the damage.46 This complex has specific affinity for various types of DNA damage and induces considerable alteration in DNA structure. This alteration is probably necessary to recruit other proteins for subsequent steps. On the other hand, the stalling of RNA polymerase II (RNA pol II) at the damaged site functions as an initiation signal for TCR.4 7 Cockayne syndrome proteins A (CSA) and B (CSB) interact with stalled RNA pol II on DNA and play indispensable roles in TCR. 4 8 Once the damage is recognized in either sub-pathway, several NER proteins are recruited to form the repair apparatus around the lesion. Transcription factor II H (TFIIH) is a multi-protein complex containing xeroderma pigmentosum group B (XPB) and D (XPD) helicases that partially unwind the DNA duplex at the damaged site. Cleavage of 5'- and 3'-ends of the damaged strand is carried out respectively by the excision repair cross-complementing 1 (ERCC 1)/xeroderma pigmentosum group F (XPF) complex and by xeroderma pigmentosum group G (XPG), producing a 25-32-bp single-stranded oligonucleotide. 49 After dual incision, DNA pol &and pol 6 synthesize new DNA to fill the gap from the 3'-side assisted by proliferating cell nuclear antigen (PCNA) and replication factor C 24 (RFC). Finally, the DNA is ligated on the 5'-end by DNA ligase I.50 The lack of any of these NER proteins results in a significant decrease in the efficiency of cisplatin damage repair. INA Damage -~IA HO A HR2 ~w1= 20, 13 XPRERCCI f -j4 -0 6 Figure 1.3. The general mechanism of nucleotide excision repair. The damage is recognized either by stalled RNA pol H (TCR, 1A.1) and subsequent interaction with CSB and CSA (1A.2) or the XPC/hHR23B complex (GGR, 1B). After recognition, several proteins are recruited on the damaged site (2), and helicases in the TFH complex form an open "bubble" around the damage (3). Then, exonucleases are recruited (4) and the single strand oligonucleotide bearing the damage is removed by dual incision (5). The gap is filled by polymerases (6) and ligated at the 5' end (7). NER efficiency varies with the type of DNA damage. Repair active cell free extract (CFE) or reconstituted systems containing recombinant NER proteins have contributed significantly to our understanding of the repair of different types of DNA damage. 51 25 52 Despite their utility as in vitro models, these artificial repair systems have some shortcomings that limit their ability to imitate in vivo systems. Quantitative measurement of repair using the artificial systems is difficult owing to undesired background from the DNA degradation. Another important complication arises from the use of 120- to 150-bp linear duplexes as a substrate for repair assays in CFE systems. These repair substrates are typically used because it is easier to prepare than closed circular substrates. They are, however, not proper substrates for TCR because they are not long enough to involve essential transcription elements, such as the promoter sequence.5 1 Even though this problem can be partially solved by changing the repair substrate to closed circular DNA with appropriate transcription elements, the low transcription efficiency of in vitro reconstituted or CFE systems still raises the question of the relevance of these model systems to the true intracellular system. 1.3. Repair-Shielding Model of HMGB Proteins 1.3.1. Damage Recognition Proteins of Cisplatin-Modified DNA trans-diamminedichloroplatinum(II) (trans-DDP) is the geometric isomer of cisplatin. The two compounds exhibit comparable DNA-binding kinetics and similar Pt:DNA binding ratios in vivo. Moreover, they are both able to effectively inhibit DNA replications. Despite these similarities, the trans isomer is ineffective as a therapeutic agent. 54 The difference between these geometric isomers gave rise to the hypothesis that the antitumor activity of platinum-based compounds might be related to a specific structural alteration in DNA induced by the cis isomer. If so, proteins recognizing platinated DNA in a structure-specific manner may play critical roles in the mechanism of action of cisplatin. Many damage recognition proteins have been linked to 26 the molecular mechanism of cisplatin, including XPC,55 TATA-box binding proteins (TBP),56 replication protein A (RPA)," hMSH2,5 and high mobility group box (HMGB) proteins. 28 59 1.3.2. High Mobility Group Box Proteins The first high mobility group box proteins were isolated in the early 1970s from calf thymus and were designated as high mobility group 1 (HMG1) and 2 (HMG2) because of their high mobility in an electrophoretic field.60 High mobility group proteins are categorized into three sub-families depending on their DNA binding motifs: 1) the HMG AT hook (HMGA), 2) HMG box (HMGB), and 3) HMG nucleosome binding (HMGN). Each sub-family has its unique binding mode to DNA and plays critical roles in many DNA-related processes. 61 HMG1 and HMG2 later were re-designated as HMGB1 and HMGB2.6 2 The HMG box consists of three alpha helices that can cooperatively wrap around DNA from the minor groove, in an L-shape (Figure 1.4). 63 Binding of HMGB proteins induces substantial distortion in DNA and produces partially unwound duplexes that facilitate proteinDNA complex formation. 64,65 HMGB proteins are classified into two different groups, according to their binding specificity. 64 Proteins in the first category have very weak sequence-specificity but demonstrate structure-specific binding to DNA; they have a strong binding preference for unwound or bent DNA over linear DNA. 66,67 They usually have multiple HMG boxes with highly conserved amino acid sequences and are present in higher intracellular levels than proteins in the second category. For example, HMGB1, the most abundant mammalian HMGB protein, is expressed at a density of approximately 1 molecule per 10-15 nucleosomes.68 Mammalian HMGB 1-4, mitochondrial transcription factor A (mtTFA), and upstream transcription factor (UBF) all belong to this first group. On the other hand, HMGB proteins in 27 the second group exhibit strong sequence-selectivity. They have relatively low expression levels or specific tissue-restricted expression patterns, and usually have only one HMG box with an amino acid sequence optimized to recognize a specific DNA sequence. Lymphoid enhancerbinding factor 1 (LEF-1) and sex-determining region Y (SRY) proteins fall into this group of HMG box proteins. (B) (A) Helix III Helix III Phe'102 Phe37 Al Ile'120 elix I Helix 11 Helix 11 Helix I Figure 1.4. The solution NMR structures of HMGB1 domain A (A) and domain B (B). Residues in intercalating positions are shown in green. 1.3.3. HMGB Proteins and Cisplatin-Modified DNA Western blot and cDNA library screening analyses uncovered three candidates of cisplatin-DNA damage recognition proteins. One of them had a molecular weight of ~100 kDa and the others were about 28 kDa in size. 59 Subsequent studies identified the larger protein as structure-specific recognition protein 1 (SSRP1),28 which has a HMG box at the middle of the sequence, and the smaller ones as HMGB1 and HMGB2.6 97, 0 Interestingly, there is almost no binding preference of HMGB proteins for DNA containing a 1,3-intrastrand cross-link compared 28 to unmodified DNA. These proteins have a strong binding preference for cisplatin 1,2-intrastrand cross-linked DNA.69 HMGB proteins also bind preferentially to cisplatin interstrand cross-linked DNA, although this binding interaction is much weaker than that between HMGB proteins and 1,2-intrastrand cross-linked DNA.71 An in vitro study using a cisplatin analog capable of forming photo-activated cross-links between DNA and DNA-bound proteins revealed that more than 70% of the total fraction of proteins in nuclear extracts bound to 1,2-intrastrand platinum lesions are HMGB proteins, including HMGB1, 2, 3, and UBF. Only 20% and 6%, respectively, of the bound proteins were identified as HMGB proteins when 1,3-intrastrand cross-linked and interstrand-cross-linked DNA were used. 7 2 ,73 Because 1,2-intrastrand cross-links comprise more than 90% of cisplatin-DNA adducts in vivo, the binding preference of HMGB proteins to 1,2intrastrand cross-links implies its importance in the mechanism of action of the drug. The first evidence suggesting that HMGB proteins affect cisplatin cytotoxicity was obtained from an in vivo yeast study. 74 A Saccharomyces cerevisiae strain deficient in interstrand cross-link recognition protein I (IxrI), an HMGB protein that regulates transcription of the yeast genome, was two-fold less sensitive to cisplatin than its IxrI-positive counterpart. The trans-DDP sensitivity of these two strains was not significantly different. From this result and the nature of the binding of HMGB proteins to platinated DNA, two initial hypotheses were proposed concerning the role of HMGB proteins. One, the "repair-shielding hypothesis", suggests that HMGB proteins bound to platinated DNA may shield the lesion from repair proteins. Alternatively, in the "hijacking hypothesis", sequestration of HMGB proteins by platinated lesions prevents them from executing their normal cell functions essential for survival.75 29 Subsequent in vitro repair studies using site-specifically platinated DNA probes shed further light on the question of the function of HMGB proteins. The addition of two recombinantly expressed HMGB proteins, HMGB1 and human mitochondrial transcription factor A (mtTFA), dramatically decreased repair of cisplatin-modified DNA substrates by repairactive CFEs. 40 Interestingly, this repair inhibition was observed for a 1,2-intrastrand cross-linked substrate, but not for a 1,3-intrastrand cross-linked substrate. This finding reflects the adductspecific binding preference of HMGB proteins. The repair inhibition efficiency varied depending on both the concentration and binding affinity of the HMGB proteins. This study strongly supported the repair-shielding hypothesis. 1.4. Nature of HMGB1 and its HMG Boxes Binding to Cisplatin-Modified DNA 1.4.1. Structure of HMGB1 and Homologous HMGB proteins Three canonical mammalian HMGB proteins, HMGB1, 2, and 3, have highly conserved amino acid sequences. They have two HMG boxes, domain A and domain B, and a C-terminal acidic tail consisting of aspartates and glutamates (Figure 1.5). The amino acid sequences of the HMG boxes of these three proteins are nearly identical. This sequence information suggests that the DNA binding properties of these proteins may be quite similar. In vivo experiments using HMGB 1 or HMGB2 knockout mice, however, indicated that there are non-redundant biological functions for each protein. 76 A more recently discovered protein, HMGB4, shares this sequence similarity, but lacks a C-terminal acidic tail. 77 Also, three of four intercalating residues - Phe37 in domain A being the exception - are different in HMGB4. The other three mammalian HMGB proteins share identical intercalating residue (Figure 1.5). 30 -- -Ha f 1 Ade -aim ............................... | HMGB1 HEGB2 HKGB3 HMGB4 GKGDPKKPRGKMSS GKGDWPNKPRGKKSS AKGDPKKPGEMS&U GKEZQLKPKANVSS !LXP= |Ada...En:Hex HMGB1 KMGB2 HMGB3 HMGB4 HMGB4 SEFS EKKK:Ds EH ZFS 4EEKKKE:PDS * EFS EIE EKREPEY NKEQQPET*A KEFS B e 2 E RWKTNSAKEKGKFE ERWKTMSIKEKSKFE ERWKTMSGKEKSKFD EKWRSISKHKKKYE eaminHefx1 | | 60 60 60 60 --- LFCSEYRPKXKGEHPGLS LFCSEHRPKIKSEHPGLS LFCSEFRPKIKSTNPGIS LFCQDHY&QLKRENPNWS 120 120 118 118 man: Heffx3 DVKKLGEMWNNTlADDKQPYEKKKRNT-KEKYEKDIAYRAKGKPDAArGVVKEEKS DTKKLGEMWSEQSAEDKQPYEQKATKLRKYEKDkIAYRAKGKSEAGKKGPGRPTGS DVTKKLGEMNNLNDSEKQPYITKAkLMKEKYEEDVADYKSKGKDGG----PAKV *QVAKLTGKMSTATDLEKEPYEQRVALLRKKYFEELELYRKQCN-------------- HMGBi HMGB2 HMGB3 HKGB4 A demmatn: DaKADKRYEREMKTYIPPKGETKKKrDPNPKRPPS DMAKSDEARYDREKKEYVPPKGDEKGEKDENAPKRPPS EEKYRYDREMEDYGPAEGGEKK--DPNPKRPPSG KILWTKnARYQEENMEYGKR--KKRRKRDPQAPRRPPSS A HeA | EdaumdkIiniI1:11 KKGB1 KMGB2 DMGB3 - AREKYRMSARNDCRGKRVRQS------------- 180 180 174 164 214 208 199 185 Figure 1.5. Sequences of human HMGB1-4. The dark blue background denotes the residues at the positions corresponding to intercalating residues in HMG boxes. The additional two amino acids at the N-terminus of domain A helix 11 is a conserved feature of HMGB1-4 domain As. The C-terminal acidic tails of HMGB1-3, in light blue background, vary in length among proteins. HMGB4 does not have the acidic tail. Two cysteines in red boxes can form intra-domain disulfide bond under the mildly oxidizing conditions. Cys22 is replaced with tyrosine in HMGB4. The consequence of the formation of disulfide linkage will be described in Chapter 2. 1.4.2. Two HMG Box Domains in HMGB1: Different Nature of Binding to DNA Structures of the HMG boxes of HMGB1 have been determined by NMR spectroscopic and X-ray crystallographic studies (Figure 1.4).78'79 In their free state, they retain an L-shape similar to that in the DNA-bound form, with helices I and II as the longer arms and helix III as the shorter one. The structure of HMGB1 domain B is substantially similar to other HMG boxes, such as those in HMG-D or LEF-1. 80 HMGB1 domain A, despite its sequence similarity to domain B, has some unique structural features not found in domain B or other HMGB proteins. Notable are the linker region between the first two helices and the position of the main intercalating residue, which will be described in the next section. Both domains A and B bind with high affinity to bent DNA compared to linear DNA.-' 31 Domain A has a particularly high binding affinity for bent DNA, whereas it cannot bend DNA effectively especially compared to other HMG boxes. 8 ' On the other hand, binding of domain B is less selective for distorted DNA but it induces more DNA bending than domain A. 80 HMGB 1 domain A binds to cisplatin 1,2-intrastrand cross-linked DNA better than domain B by a factor of 2.5-130, depending on the DNA sequence to the 3' side of the platinated lesion, which forms specific hydrogen bonds with HMG boxes. 81,84 Both domains of HMGB 1 also bind with higher affinity to cisplatin interstrand cross-linked DNA compared to unmodified DNA.7 Domain A is the main DNA binding domain of HMGB 1. It interacts with the platinated lesion of 1,2-intrastrand or interstrand cross-linked DNA. Domain B may simultaneously stabilize the binding interaction and further distort the DNA. 85 1.4.3. Structure of Complexes of HMG Boxes with Cisplatin-Modified DNA Complexes of HMG boxes with DNA are stabilized by hydrophobic interactions, specific hydrogen bonds, and electrostatic interactions that involve water molecules at the interface of the alpha helices and the DNA backbone. 84' 86 There are also intercalating residues at the specific positions within the HMG boxes. These residues play an indispensible role in the binding interaction. 80' 87 Cooperating with adjacent amino acids, the intercalating residues form a hydrophobic wedge protruding into the minor groove of the DNA and inducing a significant bend of the duplex. There are two possible positions for intercalating residues in each HMG box. The first intercalating residue is located in the first alpha helix and is a large aliphatic residue such as methionine in non-histone chromosomal protein 6A (NHP6A) and HMG-D or phenylalanine of HMGB 1 domain B. The intercalation induces a major kink in the bound duplex. The second intercalating residue is located at the N-terminus of the second helix. The 32 intercalation of the second residue induces another kink in the duplex a few base steps away from the first kink. Unlike the first intercalating residue, the properties of residues at second position vary for sequence-specific versus sequence-neutral HMG boxes, suggesting a role in structure-specific binding preference. In the HMGB1 domain A, Alal6 is at the position that is corresponding to the first intercalating residues of other HMG boxes. The methyl side chain of alanine is not large enough to properly intercalate into the minor groove of the duplex. A lack of the first intercalation explains the weak DNA bending ability of HMGB1 domain A. The position of the second intercalating residue in HMGB1 domain A is occupied by Phe37, which has a benzyl side chain that can insert between DNA bases. The strong binding preference of HMGB1 domain A for distorted DNA is attributed to the unique character of Phe37. There is, 84 86 however, no reported structure of domain A bound to an unmodified DNA. , The structure of HMGB1 domain A bound to a short DNA duplex containing a central cisplatin 1,2-intrastrand d(GpG) cross-link has been determined (Figure 1.6). It has revealed structural features that differ from those of other HMG boxes bound to DNA.8 4 The most interesting feature is that of the side chain of Phe37, which projects into the hydrophobic notch between platinum-bound guanines. The n-n stacking and face-to-edge interactions between the phenyl ring and the two guanine moieties stabilize the complex significantly. Replacing phenylalanine with alanine at this position reduces the binding affinity of domain A to the platinated DNA by a factor of more than 1000.86,88 Because this strong interaction holds Phe37 at the platinated lesion, the binding mode of domain A, revealed by hydroxyl radical footprinting analysis, is asymmetric with respect to the lesion, extending to the 3' side of modified guanines (Figure 1.6.B). 84 Even though it does not intercalate much into the DNA duplex, Ala1 6 33 constructs a hydrophobic wedge with Tyr15, Val19, Val35 and Phe40, which protrudes into the minor groove of the dulex. 86 (A) (B) {Pt(NH }2 Helix I Helix II Helix III Figure 1.6. The crystal structure of the complex of HMGB1 domain A (red) with cisplatinl,2-d(GpG) intrastrandcrosslinked DNA (blue). 81 (A) The benzyl ring of Phe37 is inserted between two platinum-modified guanines. (B) The molecular surface of the complex shows the clear asymmetric binding of HMGB1 domain A to the cisplatin-modified duplexes. One more unique feature of domain A that differs from those of other HMG boxes is that the linker region between helix I and helix II is elongated by two amino acids, Val35 and Asn36, located just before Phe37 (Figure 1.5). Not only do they allow Phe37 more flexibility to form an optimal structure for intercalating into the hydrophobic notch, but the valine residue also interacts directly with the DNA backbone, as revealed in the crystal structure. Hydrogen bonding between Ser4l and the base to the 3' side of the cross-link is also considered to be one of the reasons for the strong binding affinity of domain A to the platinated DNA. This serine residue is conserved in domain A of all four mammalian HMGB proteins. There is no available structure of domain B bound to platinated DNA, but a mutagenesis study accompanied by hydroxyl radical 34 footprinting analysis revealed that Phe 102, at the position corresponding to Alal 6 in domain A, interacts with the modified guanines, resulting in very symmetrical binding to cisplatin-modified DNA, in contrast to the asymmetric binding of domain A. 86 Unlike the dramatic decrease in the binding affinity of the F37A variant of domain A, a decrease of only 2-3 fold in the binding affinity was observed in the same variants of either didomain AB or full-length HMGBl. The binding modes of these variants were quite symmetric about the platinum cross-link, similar to those of domain B, suggesting that domain B but not domain A interacts with the damaged region of DNA. Based on the slight decrease of binding affinity in these variants, it appears that domain A strengthens the binding interaction either by weakly binding to some other site of the DNA or by electrostatically interacting with the negatively charged phosphate backbone. 1.4.4. Function of the C-terminal Acidic Tail The C-terminal acidic tail is an unusual motif observed in HMGB 1, 2, 3 and a few other HMG proteins. This tail is highly negatively charged at physiological pH and might interact with the positively charged HMG boxes by electrostatic interactions and impede DNA binding. 64 Such competitive binding is believed to increase the structure-specific binding selectivity of HMGB proteins. As a result, the binding affinity of full-length HMGB 1 to DNA is much weaker than that of a variant lacking the tail.88 ~90 An NMR mapping study of HMGB1 with truncated tails showed that the tail binds to both HMG boxes and that shortening the tail diminishes this interaction, especially with domain A, which is farther away from the C-terminus. 91 In addition, the acidic tail participates in interactions with other proteins having positively charged motifs, such as the histone protein H1 .92 35 An in vitro repair study using CFEs revealed that HMGB proteins other than HMGB 1 can inhibit the repair of DNA having a 1,2-intrastrand d(GpG) platinum cross-link similarly to HMGB 1. Proteins with stronger binding affinities displayed better repair inhibition than HMGB 1 at equimolar concentrations, suggesting that the binding affinity is directly correlated with the repair-shielding capability of the protein.40 9, 3 The relative inhibition efficiency of HMGB 1 versus HMGB4, the homologue lacking an acidic tail, will be reported in Chapter 4. For repair of damaged nucleosomal DNA, however, the tail-truncated HMGB1 displays much weaker repair inhibition than wild type HMGB1. This result suggests that the acidic tail may facilitate binding of the protein to the lesion by disrupting the electrostatic interactions with histone proteins comprising the octamer core of the nucleosome. 94 There is, however, no direct evidence that the tail of HMGB 1 is essential for intracellular repair. 1.5. Cellular Studies Many studies of the influence of HMGB proteins on cisplatin cytotoxicity support the repair-shielding hypothesis. Overexpression of HMGB 1 induced by estrogen treatment of MCF7 cells results in an increase in cisplatin cytotoxicity. 95 Transient expression of other HMGB proteins such as HMGB2 or testis-specific HMG (tsHMG) from transfected plasmids also similarly sensitizes cells to cisplatin. 96' 97 The expression level of HMGB1 appears to correlate positively with the cytotoxicity of platinum-based anticancer compounds. 98 Not all studies, however, support the hypothesis. There is no difference in cisplatin cytotoxicity for HMGB1+/+ and HMGB~' mouse embryonic fibroblast (MEF) cells. 99 A decrease in HMGB1 expression in various cancer cell lines by using short hairpin RNAs did not yield consistent results. Some knockdown cells were sensitized to cisplatin, whereas others were not. In a few cases, 36 knockdown even made the cells slightly resistant to cisplatin (D.Xu and S.J.Lippard, unpublished observation). These conflicting results in cultured-cell studies suggest that, unlike simple in vitro repair systems, the intracellular milieu has cell-type dependent factors that can regulate the interaction of HMGB proteins to cisplatin-modified DNA. One plausible such factor is the intracellular redox potential. The intracellular redox potential is meticulously regulated by multiple redox components, such as reduced (GSH) and oxidized (GS-SG) glutathione. 100' 101 HMGB1 and its homologues, HMGB2 and HMGB3, have a conserved pair of cysteines in domain A that can form disulfide bonds. In Chapter 3, the redox-dependent binding of HMGB1 domain A and fulllength HMGB1 will be described together with a discussion of its potential biological importance. Another plausible cause of the discrepancy between in vitro repair studies and those carried out in cells is that the major sub-pathway of NER in the two systems could be quite different. As described above, the repair assay system using CFEs and linear DNA without a transcription promoter predominantly reflects GGR, for almost no TCR can occur under these conditions. Therefore, if the TCR sub-pathway significantly contributes to repair of platinum damage, there should be large differences between what has been previously reported for in vitro repair assays and cellular repair. An attempt to evaluate this hypothesis, using a new method that can easily measure repair of the cisplatin-DNA adducts in live cells, will be described in Chapter 2. 1.6. Functions of HMGB1 in Processes Other than Repair 37 Necrotic Cells Z1000~ Plasma Membrane Gay Overepr sepsis Metastasis MAPKINF-IBActivatio Promt MMR enhancer NER Inhibition Activate HDR +.* p53-DNA Binding p53 Activation Activate NHEJ Nulcear Membrane Figure 1.7. Cellular functions of HMGB1 presumably related to cisplatin-triggered cell death. HMGB1 can influence many damage-triggered mechanisms as either an intranuclear interaction partner for DNA/proteins or an extracellular cytokine. HMGB proteins play essential roles in many important cellular processes by interacting with DNA and other proteins. 4 6 s Some of these processes are important in cancer biology.' Thus far we have focused on the repair-shielding model, based on the structure-specific binding preference of HMGB proteins. There are, however, other natural functions of HMGB proteins that are involved in the antitumor activity of various types of drugs regardless of their DNA distorting capabilities. Because cell death is an ultimate result caused by multiple cisplatintriggered processes, it is important to examine the putative influence of HMGB proteins on each of these. In this section, the interactions of HMGB with other biomolecules and the possible consequences are briefly described. We focus on the most well-investigated HMGB protein, 38 HMGB1. Not only does it play many roles in the nucleus of normal cells, but it can also function as a cytokine when released from cells under special conditions. The intracellular and extracellular functions of HMGB 1 are delineated in the following two sections. 1.6.1. Interaction of HMGB1 with Intracellular Proteins HMGB1 interacts with various partner proteins in the cells, many of which play their own roles in the molecular mechanisms of antineoplastic compounds.io2 It can activate a damage-triggered apoptotic signal that arises when cells are treated with cisplatin. Not only cisplatin, but also several other antimetabolite drugs, such as 5-fluorouracil, cytarabin, or mercaptopurine, can trigger an apoptotic response that is mediated by HMGB 1. It is noteworthy that these drugs do not induce a severe distortion in DNA, and hence we can assume that this function of HMGB1 is not relevant to the binding specificity. An RNAi study of multiple proteins revealed that glyceraldehyde 3-phosphate dehydrogenase (GAPDH), protein disulfide isomerase family member 3 (PDIA3), heat shock protein A8 (HSPA8), and HMGB2 associate with HMGB1 in this process. 10410 5 The resulting multi-protein assembly activates p53 by promoting the phosphorylation of serine residues. As a consequence, p53 functions as a transcription activator that promotes the expression of proteins involved in reactions occurring at downstream of the damage-triggered apoptotic cascade. 06 107 ' Several in vitro studies revealed that HMGB1 regulates the binding of p53 to its target promoter sequence, probably by optimizing DNA structure for binding.108-111 Similar DNA-binding facilitation by HMGB1 is observed in the case of the p53 homologues, such as p73. 12 Although HMGB1 is generally expressed in most cell types, its interactions with specific proteins suggest that it has functions specific to a given cell. The human HMGB1 gene has two 39 estrogen responsive elements (ERE), which explains the overexpression of HMGB 1 when estrogen-receptor (ER) positive cells are treated with estrogen. 95 Treatment of MCF7 cells with estrogen doubled the expression levels of HMGB 1 and increased the cisplatin sensitivity by a factor of 4.95 In addition, HMGB 1 facilitates the binding of ER to ERE.'11 ' 4 Given that a significant fraction of breast tumors overexpress the ER, this bi-directional interaction between ER and HMGB 1 implies a unique role of HMGB 1 in breast cancer and its treatment. 95 HMGB1 also interacts with several other nuclear proteins that are involved in cell death mechanisms, either facilitating or inhibiting cell death pathways depending on the function of its binding partners. For instance, HMGB1 increases the ability of retinoblastoma (RB) to induce GI arrest or apoptosis following drug treatment.115 In some colon tumors, enhanced expression levels of HMGB1 are closely related to the increased expression level of the inhibitor of apoptosis (IAP) proteins.ii1 HMGB 1 is also a critical factor for the recognition of platinated damage during mismatch repair (MMR),' 1 7 base excision repair (BER), 118 and double strand break repair (DSBR). 119 Even though most of the evidence of HMGB1 participation in these repair mechanisms has been obtained in vitro, as for NER, the proposed roles of HMGB 1 in these repair mechanisms must be considered when interpreting the consequences of altering the expression levels of HMGB1 in cellular system on the cellular response to cisplatin. Experimental results using HMGB1 knockdown cell lines of relevance to this discussion will be described in detail in Chapter 2. It is not surprising, given the sequence and structure similarity between HMGB1 and HMGB2, that HMGB2 can also interact with the cellular proteins mentioned above and induce similar consequences. Even though it has not been definitively shown that HMGB4 can interact 40 with p53 and other proteins in the same manner as HMGB1, it is plausible that this testisrestricted protein, or HMGB2 which is overexpressed in testis, 76 is at least partially responsible for the p53-mediated hypersensitivity of testicular cancer to cisplatin or other chemotherapeutic reagents. 1.6.2. HMGB1, an Extracellular Damage Associated Molecular Pattern (DAMP) HMGB1 is localized in normal cell nuclei, but it can be secreted to the extracellular matrix following activation by macrophages in the event of severe inflammation.120 ,21 In addition to such active release, it is passively released during necrotic, but not in apoptotic, cell death.12 Released HMGB 1 has several post-translation modifications, including phosphorylation of specific residues and intramolecular disulfide bond formation.123,124 The three cysteine residues in HMGB1 released from necrotic cells are predominantly oxidized, which is assumed to promote release from the nucleus by lowering DNA binding affinity. Extracellular HMGB1 can function as a cytokine, interacting with several trans-membrane proteins such as the receptor for advanced glycation end products (RAGE) and toll-like receptors (TLRs).125 Interaction between such receptors and extracellular HMGB1 can activate several downstream pathways. In particular, binding of HMGB1 to RAGE activates intracellular apoptosis-triggering processes like the nuclear factor-KB (NF- KB) signaling pathway and the mitogen-activated proteins kinase (MAPK) pathways. 12 6, 127 Therefore, both nuclear and extracellular HMGB 1 can simultaneously participate in cell death-triggering mechanisms, albeit through totally different pathways. Extracellular HMGB1 also influences metastasis of cancers. 128 41 In addition to interacting with receptor proteins on the cell surface, extracellular HMGB 1 can enter cells by endocytosis. A previous in vitro study carried out in cultured cells described the increase of intracellular levels of HMGB1 when the cells were treated with recombinant rat HMGB1 (K.R.Barnes, D.Xu, and S.J.Lippard, unpublished observation). The change in the HMGB 1 level influenced the cytotoxicity of cisplatin and trans-DDPas a result of the combined effects of interaction with trans-membrane receptors and binding to intracellular proteins and DNA after internalization to the nucleus. It remains to be determined whether HMGB1 released from cells, which is post-translationally modified, can interact with intranuclear factors in the same manner as intracellular or recombinant HMGB 1. 1.7. Testicular Cancer, Cisplatin, and HMGB Proteins 1.7.1. Cisplatin Hypersensitivity of Testicular Germ Cell Tumors (TGCTs) There are some common cancers such as prostate, breast, lung, and colon/rectum cancers that comprise more than half of the total cases in the US. Compared to these, testicular cancer is not common, only accounting for about 1% of cancer in males. Despite its rarity, there are several reasons that this particular type of cancer has received much attention. It most frequently occurs in young males between the ages of 15 and 35,129 whereas the incidence of most other cancers is strongly correlated with aging. Also, unlike the frequent cancers mentioned above, which are of decreasing incidence nowadays, the incidence of testicular cancer is continuously increasing.130 Moreover, testicular cancer has very distinctive features in terms of its response to cancer treatment and its biochemistry. It is generally sensitive to chemotherapy, especially to cisplatin-based treatments. A clinical trial carried out on TGCT patients in the early days of cisplatin chemotherapy revealed a dramatic increase in cure rate, from 5% to 60%.m' It is 42 noteworthy that cisplatin chemotherapy has cured a significant fraction of metastatic TGCT cases, whereas other types of metastatic cancers are generally considered incurable.13 2 Based on this distinctive feature, identifying the biochemical mechanisms that account for the hypersensitivity of TGCT would permit a better understanding of TGCT and provide clues for the possible improvement in the treatment of other types of cancer. There are several hypotheses that explain the cisplatin hypersensitivity of TGCT. The expression profiles of germ cells are quite different from those of other cells, and many of the hypotheses focus on the putative functions of proteins with unique expression profiles in TGCT. For example, most TGCTs express wild type p53 at unusually high levels whereas a considerable fraction of other cancer cells express mutated p53. 107 p 5 3 is a tumor repressor protein and a key factor in damage-triggered apoptosis. It is well known from several molecular biology studies that conservation of wild type p53 is highly correlated with the efficiency of chemotherapeutic agents. 3 3 TGCTs also have relatively low expression levels of some repair proteins, such as XPA and ERCC1/XPF. 13 4 ,1 3' The low intracellular concentration of glutathione observed in some case of TGCT suggests that the detoxification of cisplatin by glutathione in TGCT is not as efficient as in other tumors. This low glutathione level is especially interesting considering that significant fractions of platinum-based anticancer drugs are deactivated by biological thiol molecules before they reach the DNA.1 36 1.7.2. HMGB Proteins in TGCT Unlike HMGB 1, which is abundant in most tissues, some HMGB proteins have tissue or organ-specific expression patterns. Like HMGB 1, HMGB2 is expressed in various types of cells, but the expression levels are especially high in lymphoid organs and testes.7 6'13 7 An in vivo study 43 using HMGB2 knockout mice showed that the high expression level of HMGB2 in testicular tissue is relevant to its essential role in germ cell differentiation. HMGB2 and HMGB1 are highly similar in amino acid sequence, except for a shorter C-terminal acidic tail of the former. Given that overexpression of HMGB2 in non-testis cells can substantially sensitize cells to cisplatin, 96 HMGB2 might participate in the mechanism of action of cisplatin and be one of the factors causing the cisplatin hypersensitivity of TGCT. HMGB2 is not the only HMGB protein with testis-specific expression: For instance, HMG-box transcription factor 1 (HBP 1) and SRY are also present at high concentrations in testis cells and this expression pattern is due to the unique gene regulation that needs for the germ cell differentiation. 138,139 Murine tsHMG also shows promising properties as a repair-shielding protein.93,97 This protein is a variant of the mitochondrial protein mtTFA and expression in nucleus is only observed in testis.140 Not only did this protein show relatively high binding affinity for, and repair inhibition of, cisplatin-DNA adducts in vitro, 93 but transfection of tsHMG expression vector into HeLa cells also sensitizes them to cisplatin. 97 Even though there is no such variant in human mtTFA,14 1 these studies of tsHMG strengthen the hypothesis that testis-specific HMGB proteins contribute to the biochemistry that underlies the efficacy of cisplatin treatment for TGCT. Recently, HMGB4, a new member of mammalian HMGB proteins that shares considerable similarity with the three other canonical HMGB proteins was identified.77 Despite a lack of structural information, its sequence indicates that it might favorably interact with cisplatin-platinated DNA. The characterization and expression profiles of this protein will be described in Chapter 4. 44 1.8. Summary Cisplatin is an antineoplastic compound used in the treatment of a wide variety of cancers. The binding of activated cisplatin to DNA produces various adducts that trigger either repair of damage or death in cancer cells. High mobility group box proteins, which mainly function as architectural transcription factors, were the first identified cisplatin damage recognition proteins and shown to function as a repair shield of cisplatin-DNA adducts. Testicular germ cell tumors have some testis-specific HMGB proteins that might be related to their cisplatin sensitivity. 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Introduction Because of their strong and unique binding interactions with cisplatin-damaged DNA, proteins having a high mobility group (HMG)-box domain are possible regulators in the cellular response to cisplatin.1 3 After the "repair-shielding hypothesis" was suggested based on in vitro repair assays, which revealed repair inhibition by HMGB1 of a cisplatin 1,2-intrastrand d(GpG) cross-linked DNA substrate in cell free extracts (CFEs),4 attempts were made to examine the hypothesis in live cells and, ultimately, in vivo. Some experiments in cultured cells showed promising results in agreement with the repair-shielding model.5 6' Other studies indicated a negligible, or even negative, correlation between HMGB 1 expression levels and cisplatin sensitivity. No noticeable difference in cisplatin cytotoxicity was observed for HMGBl1' mouse embryonic fibroblast (MEF) cells versus wild 8 type HMGB1'* cells.7 HMGB1 knockdown in osteosarcoma cells promoted cisplatin resistance. Such conflicting results can be attributed to the use of a simple in vitro model, which fails to appropriately replicate a complex intracellular environment. The main difference between CFE and intracellular systems is that the former measures the results of a specific repair mechanism, whereas the latter reports the outcome of numerous cellular processes, several of which may involve HMGB 1. Nucleotide excision repair (NER) is generally accepted as the major mechanism by which cisplatin 1,2-intrastrand adducts are repaired. NER involves assembly of a multi-protein complex around the damaged site. Many of the proteins participating in NER are mutated in xeroderma pigmentosum (XP) and Cockayne syndrome (CS) patients, and cells derived from such patients are highly sensitive to cisplatin.9 Depending on how the damage is recognized, NER is divided 52 into global genomic (GGR) and transcription coupled (TCR) repair. The GGR pathway is initiated following DNA damage recognition by the xeroderma pigmentosum group C (XPC)/human homologue of RAD23B (hHR23B) complex, which induces a distortion of the damaged site and recruits damaged-DNA binding (DDB) factors.10"' On the other hand, the stalling of RNA polymerase II (RNA pol II) by DNA damage is assumed to trigger the TCR pathway.' 2 Cockayne syndrome A (CSA) and B (CSB) participate exclusively in the initiation step of TCR, and not that of GGR. This process is XPC-independent. 3 After recognition and formation of the initial "sensing" complexes, the damage is repaired by partial unwinding of DNA, cleavage of the damaged strand on both sides of the lesion, synthesis of gap-filling DNA, and ligation of the final products.14 The limitation of analysis using CFE is that repair is predominantly accomplished by the GGR pathway; TCR is negligible under these conditions, 5 because transcription activity is significantly lower in CFE than in live cells. Furthermore, when a linear substrate lacking a transcription promoter is used, as in previous HMGB1 repair inhibition studies, GGR is the only NER process in operation. Methods that can observe the repair kinetics in live cells are needed in order to understand repair of cisplatin damage and test the repair-shielding hypothesis. Previously, Wee Han Ang developed a new method to measure the intracellular repair of platinated DNA (Figure 2.1).16 In this assay, the Gaussia Luciferase (GLuc) expression vector is used as a transcription probe. Upon expression, GLuc is secreted into the cell medium making it possible to measure its time-dependent expression. Once the platinated plasmid probe is transfected into the cells, the cellular repair processes can be monitored by quantifying GLuc expression. This method has two main advantages; i) The time-dependent repair data can be 53 gained from the live cells without cell lysis. ii) Repair data for different platinum-adducts can be obtained by site-specifically incorporating a compound of interest into the probe. Nulcear Membrane Plasma Membrane C) Transfecdon 4raJSK4r pGLuc pobe with Pt-damages r Repair (4) Transcripion = Platinated adduct =GLuc mRNA coding region Substrate-0 Translation Oxidation Figure 2.1. Diagram of GLuc transcription assay using platinated substrates. Here we describe studies of the cellular response to cisplatin, with a focus on repair of PtDNA. Cells transfected with an HMGB 1 short hairpin RNA (shRNA) plasmid, to reduce the expression level of HMGB 1, were used to investigate the influence of HMGB 1 on intracellular repair kinetics and cisplatin cytotoxicity. The influence of HMGB 1 on cellular response to cisplatin was examined by an MTT assay and a GLuc transcription assay in knockdown cell lines. The MTT assay represents the global response resulting from multiple intracellular mechanisms that are triggered by cisplatin treatment. The GLuc transcription assay dominantly reflects the repair of the platinated DNA. Using these assays in conjunction, it is possible to investigate the role for HMGB 1 in the repair of platinated DNA as well as the overall cisplatin-triggered apoptosis. We expect that the results of these studies can explain the conflict between the 54 previous HMGB 1 studies conducted in the culture cells and verify the repair-shielding model in live cells. In addition to work using HMGB 1 knockdown cell lines, the repair of specific types of cisplatin adducts was investigated in fibroblast cell lines lacking either TCR, GGR, or both, to estimate the relative contributions of each NER sub-pathway to the repair of each adduct. 2.2. Experimental 2.2.1. Cell Culture Table 2.1. Fibroblast Cell Lines Used for Repair Studies Cell ID Phenotype Immortalizationa TCR GGR GM00637 Normal SV40 virus + + GM14930 XPG SV40 virus GM08437 XPF SV40 virus GM16095 CSB pSV3gpt + + SV40 virus XPC GM15983 aAll cell lines are transformed by either SV40 viral infection or pSV3gpt plasmid transfection. HeLa and A549 cells were purchased from ATCC. NER proficient/deficient fibroblast cell lines were obtained from the Coriell Institute and the deficient sub-pathway of each cell line is shown in Table 2.1. HeLa, A549, and fibroblast cell lines were grown in Dubecco's modified eagle medium (DMEM) containing 10% fetal bovine serum (FBS), 100 units/mL of penicillin, and 100 ptg/mL of streptomycin. HMGB1 knockdown HeLa and A549 were grown in the medium supplemented with 0.25 ptg/mL and 0.35 pg/mL of puromycin (Invitrogen) respectively. All cells were incubated at 37 'C under a 5% CO 2 atmosphere. 2.2.2. Knockdown of HMGB1 in HeLa and A549 Cells by Transfection of shRNAExpression Vector 55 To prepare a plasmid that is able to express HMGB1 shRNA, target sequences 1 (5'TTGGTGATGTTGCGAAGAAAC-3') and 2 (5'-GAAGAAGATGAAGATGAAGAA-3'), with low cross reactivity to other mRNA, were selected from the RNAi Consortium (TRC) database of the Broad Institute. The vector pLKO1.TRC (Addgene) has a hU6 promoter for shRNA expression, a 1.9 kb stuffer replaced by shRNA during construction of the plasmid, and the puromycin resistance gene. The vector was digested by restriction enzymes Agel and EcoRI at 37 'C for 1 h and purified by agarose gel electrophoresis. The insertion strand was phosphorylated at the 5' end by T4 PNK (New England Biolabs) at 37 'C for 1 h, and inserted into the cut vector by overnight reaction with T4 DNA ligase (New England Biolabs) at 16 'C. Ligated products were transformed into DH5a cells for amplification and then purified with a QIAGEN HiSpeed* Maxi Kit. Purified plasmids were designated as pLKO1 HMGBl(1) and pLKO 1 HMGB 1(2) respectively. HeLa or A549 cells were grown in a 60 mm cell culture dishes until -60% confluent prior to transfection. For the formation of the transfection complex, a 1 pg amount of each plasmid was mixed with 8 gL of enhancer (QIAGEN) in 150 gL of buffer EC (QIAGEN) and incubated for 5 min at room temperature, and then 25 gL of effectene (QIAGEN) was added to the mixed solution. The DNA-effectene solution was incubated for additional 10 min and then added to cells in fresh growth medium. The medium was replaced by puromycinsupplemented medium 48 h after transfection for antibiotic selection. Incubation was continued until all non-transfected cells died and only puromycin-resistant cells remained. Since a heterogeneous population of A549 cells did not demonstrate sufficient RNAi efficiency, homogeneous cloning was carried out by incubating cells at low density until well-isolated homogeneous clones were produced. Clones were collected using sterile glass cylinders. Cells were transfected with the pLKO1 vector containing a random insertion sequence (5'- 56 GAGAGGACAAGAGATGTACTT-3') to produce control puromycin resistant cell lines. After the transfection and selection, cells were continuously grown in the puromycin-supplemented medium to maintain persistent transfected gene expression. 2.2.3. Western Blot Cells were grown to 90% confluence in T25 cell culture flasks and collected by trypsinization followed by centrifugation. After centrifugation, cell pellets were incubated on ice for 30 min in 4 cell pellet volumes of whole cell extract buffer (20 mM HEPES, pH 7.5, 20% glycerol, 1% Nonidet P-40, 1 mM MgCl 2 , 0.5 mM EDTA, 1 mM PMSF, 1% protease inhibitor cocktail (Sigma-Aldrich), 1 mM DTT), and then centrifuged to separate the insoluble pellet from the protein solution. The protein concentrations of whole cell extracts were measured with Bradford Assay (Thermo Scientific). Whole cell extracts (10-20 pg) were resolved by SDSPAGE on a 4-20% Tris-HCl Ready-Gel (Bio-Rad) for 35 min at 200 V. After the electrophoresis, the SDS gel was equilibrated in western transfer buffer (48 mM Tris-HCl, 39 mM glycine, pH 9.2) for 15 min before the proteins were transferred to 0.4 gm PVDF membrane (Pall corporation) using a Mini Trans-Blot electrophoretic transfer cell (Bio-Rad), for 2 h at 100 V, 0.35 A, 40 W conditions. After the membrane with protein on it was incubated in 5% milk solution in TBS buffer (50 mM Tris-HCl, pH 7.6, 150 mM NaCl) to block non-specific antibody binding, it was incubated with a 1:1000 dilution of rabbit HMGB 1 antibody AB 18256 (Abcam), for 1 h at room temperature. As internal standards, a 1:1000 dilution of rabbit Actin antibody A2103 (Sigma-Aldrich) or a 1:200 dilution of rabbit GADPH antibody PA000275 (Syd Lab) were used simultaneously with the HMGB1 antibody. The membrane was washed with TTBS solution (TBS + 0.1% Tween 20) and incubated with a 1:4000 dilution of AB6721 goat antirabbit IgG antibody (Abcam) for 1 h at room temperature. After a final wash in TTBS, the blot 57 was exposed to SupersignalV West Pico substrate (Thermo Scientific) for 1 min and exposed to BioMax film (Kodak Co). For quantitative estimation of RNAi efficiency, whole cell extracts of HMGB 1 knockdown cells were loaded with serial dilutions of the parental cell extracts. 2.2.4. Immunofluorescence Parental/control and knockdown HeLa clones in their homogeneous populations were grown to 30-50% confluence on a glass-bottom cell culture dish. Cells were fixed with 4% paraformaldehyde in 50 mM phosphate buffer (pH 7.5) for 1 h at room temperature, washed with PBS, and permeabilized with 0.1% Triton X-100 in PBS for 10 min at room temperature. Before antibody treatment, permeabilized cells were incubated in a 1%v/v goat serum solution in PBS for 30 min to prevent non-specific binding of antibodies and then incubated in the primary HMGB1 antibody AB18256 (1:1000 dilution in PBS) at 37 'C for 1 h. After a PBS wash, cells were treated with secondary antibody alexa Fluoro@ 546 (1:50 dilution in PBS). Finally, cells were incubated in 4 ng/L of Hoechest for nuclear staining. Antibody-treated cells were visualized with a fluorescent light microscope. 2.2.5. Cytotoxicity Assay The colorimetric MTT assay was carried out to compare the cytotoxicity of platinumbased anticancer drugs in each cell line. HMGB 1 knockdown and control cells were seeded on a 96-well plate at cell densities that varied depending on cell line; 1000 cells/well for HeLa and A549, 800-2000 cells/well for NER proficient/deficient fibroblast cell lines depending on doubling time. Platinum compounds were dissolved in PBS immediately before drug loading, and the concentration was measured by atomic absorption spectroscopy. The medium in each well was replaced by 100 pL of new medium containing various concentrations of platinum 58 compounds. Cells were incubated at 37 'C, 5% CO 2 for an additional 72 h, and then incubated in 100 pL of 0.5 mg/mL MTT solution in DMEM without phenol red for 4 h. Precipitated formazan was dissolved in 100 [tL of DMSO, and the absorbance at 550 nm was measured in a 96-well plate reader (Bio-Tek). The IC50, the concentration required to kill 50% of treated cells, was calculated by interpolation of the experimental data. 2.2.6. Preparation of Platinated pGLuc Plasmids Transcription assays were carried out using both globally and site-specifically platinated GLuc expression plasmids. The pGLuc vector for global platination is derived from pCMVGLuc (New England Biolabs) by removing the pSV40 gene to prevent the duplication of plasmids in mammalian cells. Plasmids were incubated with 0, 5, 10, 20, 40, 80 molar equivalent amounts of cisplatin in binding buffer (10 mM HEPES, pH 7.4, 100 mM NaCl) at 37 'C overnight. Reaction solutions were dialyzed in 3500 kDa MWCO membranes against TE buffer (10 mM Tris-HCl, pH 7.5, 1 mM EDTA) to remove residual platinum compounds. Concentrations of DNA and platinum were measured by UV-Vis and atomic absorption spectroscopy, respectively. The site-specifically platinated plasmids were produced by Guangyu Zhu. These probes have a platinum-DNA adduct on the template strand between the CMV promoter and the coding region of GLuc. Three types of cisplatin platinated plasmids, pGLucd(GpG)-PtA 2, pGLuc-d(GpTpG)-PtA 2 , and pGLuc-ICL-PtA 2 were used as transcription assay probes of the repair of the 1,2-d(GpG) intrastrand, 1,3-d(GpTpG) intrastrand, and interstrand cross-links, respectively. In addition, a phenanthriplatin platinated pGLuc-dG-PtPhen was used to assay the repair of a monofunctional adduct. The concentration of site-specifically platinated plasmids was measured by both UV-Vis spectroscopy and the Pico-green assay (Invitrogen). 59 2.2.7. Transcription Assay The time-dependent change in the transcription level of the platinated plasmids was measured by a transcription assay using globally/site-specifically platinated pGLuc-derivatives transiently transfected into the cultured cells. Cells were plated on 96-well plates at densities of 2000-4000 cells/well depending on their growth rate in DMEM supplemented with 10% FBS. They were allowed to grow for 48 h at 37 'C, under 5% CO 2 before transfection. In the case of globally platinated pGLuc, each platinated and unplatinated control plasmid was mixed with lipofectamine 2000 (1:2.5 w/v) in serum-free Opti-MEM and then incubated at room temperature for 20 min to form transfection complexes. Aliquot of 25 pL Opti-MEM containing 50 ng of complexed pGLuc were mixed with 50 iiL of DMEM and added into each well, and the medium was replaced after 2 h. The medium containing secreted GLuc was collected at 12 h, 24 h, 36 h, 48 h, and 60 h or 8 h, 16 h, 24 h, 32 h, 40 h, 48 h after the first medium change. The amounts of GLuc collected in the medium were measured in a 96-well plate luminometer (Bio-Tek) using coelenterazine (Nanolight) as a substrate. The luminescence values measured from each well were normalized by the average luminescence measured from the cells transfected with the unplatinated pGLuc. Transcription assays of site-specifically platinated plasmids were carried out in a similar manner as for the globally platinated plasmids with some modifications: 10 ng of plasmids were transfected into each well and, for each type of platinated plasmid, the unplatinated plasmids of each pGLuc derivative were transfected simultaneously as controls. The luminescence values obtained from site-specifically platinated plasmid-transfected cells were normalized by the value acquired from cells transfected by unplatinated pGLuc derivatives. 60 2.3. Results 2.3.1. Establishment of HMGB1 Knockdown HeLa and A549 Stable HMGB1 knockdown cell lines were established by both heterogeneous and homogeneous antibiotic selection. The parental HeLa or A594 cells were incubated in the puromycin-supplemented medium for antibiotic selection simultaneously with transfected cell lines, and complete cell death of untransfected cells was observed in 7-8 days. Without single colony isolation, the selected cells are heterogeneous in genetic information. After the initial selection, both HeLa KD1 and HeLa KD2 presented noticeably reduced expression levels of HMGB 1 in western blot analysis, with much higher RNAi efficacy in HeLa KD 1 (Figure 2.1 .A). On the other hand, both shRNA constructs were unable to significantly block HMGB1 expression in a heterogeneous population of the A549 cells after puromycin selection (Figure 2.1.A). The western blot analysis of HMGB1 revealed a less than 30% decrease of HMGB1 expression levels in A549 KD1 and A549 KD2. Because of its better RNAi efficiency, pLKO1 HMGB1(1) was used to establish homogeneous clones. Four clones were successfully isolated from both HeLa and A549, and the expression level of HMGB1 was significantly reduced by >90% in two of them, whereas no noticeable change was observed in the other two clones of both cell lines (Figure 2.1 .B,C). Expression of HMGB1 in HeLa clones was also tested by immunofluorescence (Figure 2.2), which gave results in agreement with the western blot analysis. The established cell lines are listed in Table 2.2 along with their designation and RNAi efficiency. 61 (A) 1 2 3 5 4 (B) 6 2 3 4 5 Actin - Actin HMGBI- (C) 1 HMGBI 1 2 3 4 5 6 - 7 Actin HMGBI Figure 2.2. HMGB1 knockdown efficiency analyzed by western blotting. (A) Expression level of HMGB1 in heterogeneous populations of A549 KD1 (lane 1), A549 KD2 (lane 2), HeLa KD1 (lane 4), and HeLa KD2 (lane 5). A549 knockdown cell lines showed moderate RNAi efficacy compared to HeLa knockdown cell lines. Parental A549 (lane 3) and HeLa (Lane 6) were used as controls. (B) Expression level of HMGB1 in homogeneous populations of A549 control (lane 1) and C1-4 (lane2-5) cells. The RNAi efficiency in each clone is C11, C12, C14, and C13 in descending order. (C) Expression level of HMGB1 in parental (lane 1), control (Lane 2), and homogeneous populations of C11-4 (Lane 3-6) HeLa cell lines. The RNAi efficiency in each clone is Cl1, C14, C12, and C3 in descending order. Table 2.2. List of Stably Established HeLa and A549 Cell Lines and Their RNAi Efficiency Designation Transfection RNAi No - A549 pLKO 1. TRC - A549 control HeLa KD1 pLKO1HMGB1(1) High HeLa KD2 pLKOlHMGBl(2) HeLa ClI HeLa Designation Transfection RNAi No pLKO 1. TRC - A549 KD1 pLKOlHMGB1(1) Low High A549 KD2 pLKO1HMGB1(2) Low pLKOlHMGBl(1) High A549 C11 pLKOlHMGB1(1) High HeLa C12 pLKOlHMGBl(1) Low A549 C12 pLKOlHMGB1(1) High HeLa C13 pLKO1HMGBl(1) Low A549 C13 pLKO1HMGBl(1) Low HeLa C14 pLKO1HMGBl(1) High A549 C14 pLKO1HMGBl(1) Low HeLa control 62 Parental Control CI1 C2 C13 C14 Figure 2.3. Immunofluorescence results of HMGB1 knockdown HeLa in homogeneous populations. After sequential treatment of antibodies, parental/control HeLa present stronger overlapping signals from HMGB1 and nuclear staining. HeLa C11 and C14, showing high RNAi efficiency in western blot analysis, do not show significant HMGB1 signals compared to the background signal. Strong HMGB1 signals, comparable to that of control/parental cells, are observed in C12 and C13. 2.3.2. Cisplatin Sensitivity of HMGB1 Knockdown Cell Lines Cisplatin cytotoxicity in HMGB1 knockdown and parental/control cell lines was analyzed by the MTT assay (Table 2.3, Figure 2.4). IC50 values of HeLa KD1 and HeLa KD2 were larger than those of parental/control HeLa cells by a factor of 2 and 1.5, respectively. The 63 IC50 of HeLa KD1 increased more than that of HeLa KD2, which is consistent with the difference of RNAi efficiency found in the western blot analysis (Figure 2.2.A). Genetically homogeneous knockdown HeLa cells exhibited a similar correlation between the expression levels of HMGB1 and cisplatin cytotoxicity. HeLa Ci1 and 4, with largely reduced HMGB1 expression levels, presented a 2.7 or 4 fold increase of IC50 values from parental or control HeLa. IC50 values of HeLa clones with poor RNAi efficacy were only 1.5-fold larger than that of parental HeLa or 1.34-fold larger than that of the HeLa control cell line. (A) (B) 100 100 -0-A49 -""Hela -*-HeLa KD1 75 -+-A549KD1 75 -4--HeLa KD2 . -4-A549KD2 50 0 25 -25 0 8 16 24 32 0 8 16 24 32 cDDP (paM) cDDP (pM) (C) (D) 100 100 -+A5493 '"4"A549 Control +A549 C1 -+*-Hela control -*-Hela C11 5-+-HeLa C12 7S -. 75 -4-Hela C13 5so -+A549 Cl2 -4Hea C14 50 2S 25 0 0 0 4 8 12 16 0 cDDP (p&M) 4 8 12 16 cDDP (pLM) Figure 2.4. Cisplatin cytotoxicity assay of HMGB1 knockdown cell lines. Cisplatin kill curves of (A) heterogeneous knockdown HeLa, (B) heterogeneous knockdown A549, (C) homogeneous knockdown HeLa, and (D) homogeneous knockdown A549 were acquired by MTT assay. For each individual experiment, a cytotoxicity assay of the parental and/or control cell lines was conducted simultaneously. A549 KD1 and KD2 presented neither a clear correlation nor a significant difference in cisplatin cytotoxicity from parental/control A549 cells. This negligible change in cytotoxicity is in agreement with the low RNAi efficiency in A549 KD1 and KD2 cells (Figure 2.2.A). In the 64 case of A549 CI1 and C12, which presented high RNAi efficiency in western blot analysis (Figure 2.2.B), the cisplatin cytotoxicity decreased by a factor of 1.5 or 2.4, respectively. Transfected A549 clones without a noticeable knockdown of HMGB 1 presented similar cisplatin cytotoxicity to parental/control A549 cells. Table 2.3. IC50 Values of HMGB1 Knockdown HeLa and A549 Cell Lines aMTT Cell ID HeLa (pM) Parental 1.26 ±0.55 Control IC50/IC50parentai A549 (iM) IC50/IC50parenta 1 4.27 ±1.51 1 1.40± 0.59 1.11 3.91 ±0.37 0.91 C11 3.45 ±0.67 2.74 1.78 ±0.18 0.42 C12 1.88± 1.00 1.50 2.76± 0.31 0.65 C13 1.91 ± 0.98 1.52 5.00± 2.63 1.17 C14 5.16 ±2.54 4.09 4.54 1.06 Parentala N/A N/A 2.53 1 KD1 2.42 ±0.50 1.92 3.44 1.36 KD2 1.85+0.58 1.50 1.78 0.70 0.98 assay of heterogeneous HMGB1 knockdown A549 was carried out only once. Because of the large difference in IC50 values between the single MTT assay of heterogeneous A549 and the average of MTT assay of homogeneous A549, the results were analyzed separately. All other values are the averages of at least two independent experiments. 2.3.3. Restoration of the Transcription Level of Platinated Plasmid in Knockdown Cells Global platination of pGLuc was carried out by incubation of the plasmid with cisplatin at pH 7.4 for 24 h. Under these conditions, almost all of the platinum added in the initial reaction mixture bound to DNA, as judged by the platinum to plasmid ratio measured by UV-Vis and 65 atomic absorption spectroscopy. The rate of the restoration of transcription levels, or the slope of the time versus normalized transcription level plot, is assumed to reflect the repair efficiency in each cell line. Both HeLa KD1 and HeLa KD2 exhibited a substantially slower increase of the transcription level of globally platinated pGLuc than parental HeLa cells (Figure 2.5). The different recovery rates of knockdown and parental cell lines were more noticeable at high platinum per plasmid ratios. Similar to changes in IC50 values measured by the MTT assay, the difference between HMGB 1 knockdown and parental HeLa in rate of restoration of transcription level is more significant in HeLa KD1 than in HeLa KD2. (A -- 1A29*.2 W r-0-1a .Het HnaIKD1HeLa2 -i I j4D -4U94U A 20 =10.9 PUPkla puPupplm PUPhasm= UI 20.9 se so sosee 0 U 4U 24 W 60 1 0 72 Uo s 43 n a a a M 0 O 24 PUP*am= 1 PUPMasnM= 43.6 72 4 3so 0 U 24 M a U 4 a 72 78. I.e 19.2 0* U 24 24 6 a a os 0 n U 24 s N4 Tm a TmeM Figure 2.5. Transcription profile of globally platinated pGLuc probe in heterogeneous knockdown HeLa. (A) Plot of the transcription levels of platinated pGLuc probes normalized by the transcription level of unmodified pGLuc versus the average platinum to plasmid ratio of the probe in different cell lines. (B) Plot of the normalized transcription level of platinated pGLuc probe versus the time points at which the medium was collected for each platinum to plasmid ratio. 66 Compared to HeLa, heterogeneous A549 knockdown cell lines did not show a drastic difference in the restoration rate of transcription of globally platinated DNA at low Pt:DNA ratios. A549 KD2 demonstrated a relatively slower restoration rate than parental or control A549 at Pt:DNA ratios higher than 40. Transcription restoration in A549 KD1 and parental A549 did not differ (Figure 2.6). In contrast to heterogeneous knockdown A549, homogeneous A549 C11 revealed significantly slower transcription restoration of globally platinated pGLuc, even at low Pt:Plasmid ratios (Figure 2.7). 10 In. 0 Zj1 20 0 a a a 40 20 a a (B) A5-Me-- Me..M a a 20 a s M PM:Fawl -4Me.MM A4 -- MeU2 F. W 2 1129 L 0 12 24 36 4 a 72 a 12 as 36 a 4 72 S 12 24 KZI 4 so 72 OW N, --PM49 -P-aM= -4-AS. 20 I --WA5mi Ph~inid = 43A6 -- 74KD1 PtiPaid = 78.5 =6 ii' .14 jiS 0 S 12 a a T h) a a 72 S 12 24 K tWAw0 a a 72 Figure 2.6. Transcription profile of globally platinated pGLuc probe in heterogeneous knockdown A549. (A) Plot of the transcription levels of platinated pGLuc probes normalized by the transcription level of unmodified pGLuc versus the average platinum to plasmid ratio of the probe in different cell lines. (B) Plot of the normalized transcription level of platinated pGLuc probe versus the time points at which the medium was collected for each platinum to plasmid ratio. 67 (A) 100 100 A549 75 A549 C1 n -. 1- + 10+024h +24h -032 jso a t0 20 --A2h 10 0 50 40 30 50 (B) -- As91 -a-AS49 -A49 CI Pt/Plasmid a 1 +AS49 +ASI Pt/Plasmid = 20 3 1 24 46 36 Time(h) 60 72 50 As PtIPlasmid a 40 0 20 0 40 30 20 Ptpasmid Pt:PAnnid 0 12 24 4h 36 n"u (h) 60 72 0 12 24 36m a Time(h) 60) Figure 2.7. Transcription profile of globally platinated probes in homogeneous HMGB1 knockdown A549 CI1 and parental A549. Transcription assay was carried out with average Pt to plasmid ratios of 10, 20, and 40 respectively. (A) Plot of the normalized transcriptionlevels of platinated pGLuc probes versus the average platinum to plasmid ratio of the probes in parental A549 and A549 C11. (B) Plot of the normalized transcription level of platinated pGLuc probe versus the time points at which the medium was collected for each platinum to plasmid ratio. 2.3.4. Cisplatin and Phenanthriplatin Cytotoxicity in NER Proficient/Deficient Fibroblast Cell Lines The cellular response of fibroblast cell lines established from CS or XP patients were investigated for improved understanding of the participation of NER in the antitumor mechanism of different types of platinum adducts (Table 2.4). Along with that of cisplatin, a traditional bifunctional platinum compound, the cytotoxicity of phenanthriplatin, a recently reported monoftunctional compound, was measured in NER proficient/deficient fibroblast cell lines. Phenanthriplatin is a pyriplatin analogue with phenanthridine instead of pyridine replacing one of the chloride ligands of cisplatin (Figure 2.8.B). Unlike most other monofunctional platinum compounds, phenanthriplatin is much more potent than cisplatin in all tested cancer cell lines, by a factor of 3-30.17 The cisplatin IC50 values of all fibroblast cell lines were around 1-2 pM, except for CSB, which is 3-4 fold more sensitive to cisplatin than the others (Figure 2.8.A). In the case of phenanthriplatin, normal fibroblast cells displayed the highest IC50 value (0.41 pM), 68 followed by XPC, XPF, XPG, and CSB in descending order (Figure 2.8.B). The ratio of cisplatin IC50 value to phenanthriplatin IC50 value was smallest in normal fibroblast cells, 2.32. The IC50 ratios of CSB and XPC were similar to each other, around 3-4, and those of XPG and XPF were about 6-8, the largest among the fibroblast cell lines. (B) (A) 10 ino 100 60 HsN, Cl -+*-Nonn HsN Cl -0---xcS 100 -0- -.- xc 60 .0 --- XPF 0 -- 20 XPG 20 0 0 4 12 8 Noml -- $XPG 0 16 0 1 [cDDP pM 3 2 4 PhenPtIpM Figure 2.8. Cisplatin (A) and phenanthriplatin (B) cytotoxi city of NER proficient/deficient fibroblast cell lines and control fibroblast cell line. Table 2.4. Cisplatin and Phenanthriplatin IC50 Values of Each Fibroblast Cell Line Cell ID IC50 cDDP IC50 PhenPt Ratio (cDDP/PhenPt) Normal 0.99 ± 0.04 gM 0.426 ± 0.020 jM 2.32 XPG 1.17 ±0.05 pM 0.182 L 0.003 jM 6.46 XPF 1.71 ±0.35 gM 0.221 ± 0.016 pM 7.75 CSB 0.37 ± 0.06 jM 0.094 ± 0.003 pM 3.96 XPC 1.11 ±0.09 gM 0.319 ±0.011 pM 3.60 2.3.5. Repair Profiling of Different Platinum-DNA Adducts in NER Proficient/Deficient Cell Lines For all different types of platinated pGLuc probes, transcription was restored most rapidly in the normal fibroblast cell line. In XPF and XPG, there was very slow restoration of transcription for all the tested plasmids. The normalized expression levels from platinated pGLuc in XPG were significantly lower than in other cell lines at every time point, for all the different 69 adducts. There was almost no recovery of transcription level of pGLuc-d(GpG)-PtA 2 in XPF, XPG, and CSB, whereas in XPC there was a considerable amount of restoration (Figure 2.9.A). In the case of pGLuc-d(GpTpG)-PtA 2 and pGLuc-ICL-PtA 2, CSB appeared to repair the damage as fast as normal fibroblast, whereas the restoration curve of XPC is rather similar to that of XPF (Figure 2.9.B,C). Unlike cisplatin-platinated plasmids having extremely slow recovery of transcription levels in XPF and XPG, significant increase of transcription levels of pGLuc-dGPtPhen was observed in two cell lines. Except for normal fibroblasts, which have the fastest recovery rate, the restoration plots for pGLuc-dG-Phen had similar slopes with XPF, XPG, CSB, and XPC cell lines (Figure 2.9.D). (B) (A) 100 120 cDDP-1,2-d(GpG) 80 cDDP-1,3-d(GpTdG) 100 -+-Normal ONormal -+-CSB o -+-CSB 60 -4--XPC XPC 20 -- XPF 40 -- XPF -- XPG 20 -- XPG 0 0 16 8 0 24 32 40 48 8 0 56 16 (C) (D) 100 90 so0 24 32 40 48 56 Time (h) Time (h) cDDP-ICL -4-Normal -+ .2 60 PhenPt-mono 7 -* - Normal Cs1.-"CSB -4-CS -- XPF 5 -+-XPF XPG 30 -4G *XP '-20 10 0 0 8 16 24 32 40 48 0 56 8 16 24 32 40 48 56 Time (h) Time (h) Figure 2.9. Transcription profile of site-specifically platinated probes in NER proficient/deficient cell lines. pGLuc derivatives with a 1,2-intrastrand cross-link (A), a 1,3-intrastrand cross-link (B), an interstrand cross-link (C), and phenanthriplatin monofunctional adduct (D) were used as transcription assay probes. 70 2.4. Discussion 2.4.1. Cellular Response to Cisplatin in HMGB1 Knockdown HeLa and A549 Cells The repair-shielding model of HMGB 1 suggests that binding of HMGB 1 inhibits the assembly of the repair machinery around the lesions and enhances the antitumor activity of cisplatin. According to this model, reduction of intracellular levels of HMGB 1 by shRNA would increase the repair rate of platinated adducts to which HMGB1 has strong binding preference, and ultimately desensitize cells to cisplatin. The transcription assay of globally platinated pGLuc probes, however, revealed the opposite trend. In both HeLa and A549 cells, HMGB 1 knockdown retards transcription restoration of platinated plasmids. In the case of cytotoxicity assays, HMGB1 knockdown HeLa showed a higher IC50 value than parental HeLa whereas knockdown A549 is more sensitive to cisplatin than its parental cell line (Table 2.5). Assuming that any change that slows down the repair processes enhances drug efficiency, the outcome of the transcription assays and cytotoxicity assays in A549 were in agreement with each other. They do not, however, fit with the repair-shielding hypothesis at all. On the other hand, the two assays conducted in HeLa cell lines gave inconsistent results. Table 2.5. The Change of Cellular Response to Cisplatin in HMGB1 Knockdown Cell Lines and Expected Results Based on the Repair-Shielding Model Knockdown Cells Repair-Shielding Model Recovery of Transcription Level Cisplatin Cytotoxicity T t A549 HeLa 71 The results of the transcription assay clearly revealed that HMGB 1 does not inhibit but rather facilitates repair of cisplatin-modified DNA in intracellular environments. Since the repair-shielding hypothesis is largely based on the results of in vitro repair but not cell-based assays, the model potentially has limitations. Several cell-based studies suggest that TCR is the dominant NER sub-pathway of cisplatin adducts in vivo, whereas GGR is the main sub-pathway at work in CFE system. 9" 3 "8 Considering that the repair-shielding model assumes that HMGB proteins might be involved in the recognition of DNA damage, the lack of the ability of the assay to reflect the contribution of TCR brings into question the relevance of the repair-shielding hypothesis. In contrast to the transcription assays that presented consistently negative correlation between the repair efficiency and the expression levels of HMGB 1 in both cell lines, the MTT assay indicated the opposite trend in cisplatin sensitivities in HeLa and A549 cell lines upon HMGB 1 knockdown. This opposite trend is assumed to originate from cisplatin-triggered mechanisms other than DNA repair. Some of the partner proteins interacting with HMGB 1 and the consequences of those interactions were described in the Chapter 1. It should be pointed out that some of the interaction partner proteins show cell-specific expression profiles. For instance, HeLa cannot express p53 because of human papillomavirus (HPV) infection, whereas A549 expresses wild type p53 protein in reasonably high levels. Considering how important p53 is in damage-triggered apoptosis1 9 ,20 and the previous studies demonstrated the cell-specific influence of HMGB1 on the activation of p53,-' the different expression profiles of p53 can be assumed to be a factor of importance in regulating the consequences of HMGB 1 knockdown. 2.4.2. Damage Repair Processes and HMGB1 72 Cellular systems have well-organized DNA repair processes to maintain the integrity of their genome. The efficiency of each repair apparatus is largely dependent on the type of damage. Although NER is the major cisplatin repair mechanism, there are several other important repair mechanisms that participate in the repair of platinated DNA. HMGB1 appears to participate in those major repair mechanisms of cellular systems. Mismatch repair (MMR) is a process that recognizes and corrects bases that are incorrectly incorporated during DNA replication. It is particularly active in the repair of cisplatin 1,2-d(GpG) intrastrand cross-links, but not 1,3-d(GpNpG) or 1,2-d(ApG) interstrand cross-links in vitro, comprising reconstituted MMR components. 24 HMGB 1 is a critical factor for in vitro MMR systems, probably through physical interaction with MutSa, 25 ,2 6 a protein that plays a critical role in base substitution, prior to excision of the damaged nucleotide. Double strand break repair (DSBR) is also one of the main repair processes in cellular systems. 27,28 Unlike NER and MMR, cleavages occur in both strands during DSBR. There are two types of DSBR for cisplatin-modified DNA. Homology directed repair (HDR) has a lower error because it uses the whole homologous DNA as a template. On the other hand, non- homologous end joining (NHEJ) mechanism shows a higher error due to lack of the proper template. The initiation step of NHEJ is recognition of damage by DNA-dependent protein kinase (DNA-PK) and Ku proteins, both of them are activated by HMGB 1 in vitro.29 3 0 In addition, these proteins are weakly involved in the HDR process.31 HMGB 1 also interacts with and facilitates the function of RAG 1/2 nuclease, which cleaves DNA in HDR processes. 32 Most of the studies of the function of HMGB 1 in cellular repair processes are carried out in vitro, and the behavior of HMGB 1 and repair proteins can be quite different in cells. The fact 73 that HMGB 1 functions to enhance both MMR and DSBR, however, suggests a reasonable explanation for the outcome of the transcription assay in the HMGB 1 knockdown cell lines. The contribution of each repair mechanism to the intracellular repair of cisplatin damage and the importance of the presence of HMGB 1 for each repair process in cells needs further investigation to confirm this hypothesis. 2.4.3. NER of Different Types of Platinum Adducts The bifunctional nature of cisplatin and its analogues gives them the ability to form various kinds of cross-links. Among them, the 1,2-intrastrand cross-link is predominant, accounting for more than 90% of total platinated adducts. 33 The 1,3-intrastrand cross-link is the second-most frequent adduct, and very small amounts of interstrand cross-links or monofunctional adducts have been reported. From in vitro studies using nuclear extracts, each type of platinated adduct presents a unique profile for damage recognition proteins. 34 ,31 On the other hand, monofunctional platinum-based anticancer drugs are able to form only one covalent bond to the DNA, mainly on the N7 position of guanine residues. The crystal structure of DNA bearing a central monofunctional adduct of pyriplatin, one of the most thoroughly investigated monofunctional platinum compounds, revealed no significant distortion of DNA as occurs at cross-linked adducts of bifunctional platinum compounds.36 The crystal structures of RNA pol II and pyriplatin-modified DNA complex revealed that monofunctional lesions are capable of stalling RNA pol II during the elongation process.37 Transcription assays of different transcription probes containing a cisplatin 1,2-intrastrand, 1,3-intrastrand, or interstrand crosslinks were used to determine the different contributions of NER to the total repair of each adduct in a set of fibroblast cell lines consisting of TCR/GGR active, TCR/GGR inactive, only TCR active, and only GGR active cells. In addition to cisplatin-platinated transcription probes, a 74 pGLuc probe with phenanthriplatin-modified adducts was used to assess the repair of monofunctional adducts. In cytotoxicity assays carried out prior to the transcription assay, no concrete correlation between cisplatin cytotoxicity in each cell line and repair deficiency was noted (Table 2.4). Only CSB cell lines showed distinctively low IC50 values. Even XPG and XPF, in which both NER sub-pathways were blocked, presented no obvious difference in cisplatin sensitivity when compared to normal fibroblasts. This lack of correlation is not surprising, because each cell line was acquired from a different patient with a totally different genomic information and medical history. Moreover, they all went through an immortalization step that can influence cisplatin resistance. The ratio of cisplatin to phenanthriplatin IC50 values, however, tells a more interesting story. The ratio is biggest in NER deficient cell lines, smallest in normal fibroblast cell lines, and intermediate for TCR deficient or GGR deficient cell lines. Even though this result is not definitive, it supports the hypothesis that the monofunctional adducts of phenanthriplatin might be repaired by NER, and that the contributions of each subpathway are similar to those of cisplatin. The restoration of normalized transcription levels is slower in all TCR and/or GGR deficient cell lines compared to that in normal fibroblasts. This trend reflects the critical contribution of NER to the repair of each type of platinated adduct. The order of the restoration rate in repair deficient cell lines varies among different platinated adducts. The repair of a 1,2intrastrand cross-link is much faster in XPC than in CSB. The slope of the restoration curve of CSB is almost the same as that of XPF and XPG, which suggests that TCR is a dominant NER sub-pathway for the 1,2-intrastrand cross-link. On the other hand, a transcription assay of the 1,3-intrastrand cross-link showed considerable repair in CSB, much faster than the repair in XPC, suggesting that GGR is the more important repair pathway for this cross-link. Given that the 75 repair curves of the 1,3-intrastrand cross-link for normal fibroblast and CSB are almost identical, it is assumed that TCR barely influences the repair of the 1,3-intrastrand cross-link. The first in vitro repair assay using repair active cell extracts showed that a linear probe bearing a cisplatin 1,3-intrastrand cross-link was repaired much more efficiently than that bearing a cisplatin 1,2intrastrand cross-link. 4 Studies on cultured cells, however, revealed that TCR is the major NER sub-pathway of total cisplatin damage. This cellular study is in agreement with the results of the transcription assays, considering about 90% of cisplatin adducts are 1,2-intrastrand cross-links. Given the fact that the in vitro repair assay dominantly reflects the influence of GGR, the conclusion that 1,3-intrastrand cross-linked DNA is a better substrate for NER than 1,2intrastrand cross-linked DNA, is only applicable under in vitro repair system conditions. The restoration pattern for the cisplatin interstrand cross-link is similar to that of the cisplatin 1,3-intrastrand cross-link, demonstrating faster recovery in TCR deficient cell lines than in GGR deficient cell lines. Compared to the other types of cisplatin damage, not many details are known about the repair of interstrand cross-links. It is, however, expected to be very different from that of intrastrand cross-links because the interstrand cross-linked damage spans the duplex. NER plays a considerable role in the repair of representative interstrand cross-link producing agents like psoralen. One possible way to explain the contribution of NER to the repair of cisplatin interstrand cross-links is based on the E.coli repair model, a combination of HDR and NER, established by Ronald Cole. 38 In this repair model, one of the strands is first cleaved by an NER apparatus and the gap is filled using homologous DNA as a template, as in HDR. This step is followed by a second NER cleavage on the remaining strand. This repair model requires an undamaged chromosomal DNA homologous to that on which the DNA is damaged. It is believed that, in the transcription assay of the interstrand cross-link, a small fraction of undamaged 76 plasmid can function as the template. 3 9 The fraction of undamaged plasmid increases as time passes and the damage is repaired. The transcription assay revealed that NER, especially the GGR sub-pathway, is critical in the repair of interstrand cross-links. Several previous studies also presented a large influence of the XPF/ERCC1 complex in the repair of the interstrand cross-links as compared to other NER proteins. 39 Such an effect, however, was not observed in this transcription assay, most likely because the restoration rates in XPC, XPF, and XPG are all too slow to observe notable differences. Although XPF and XPG showed very weak repair efficiency of cisplatin cross-links, most likely because both sub-pathways of NER are blocked, these cell lines showed considerable restoration of transcription from phenanthriplatin monofunctional adducts. It seems as though other cellular repair mechanisms in addition to NER play important roles in the repair of monofunctional adducts. In addition, for the phenanthriplatin adduct, no significant difference was observed between TCR deficient and GGR deficient cell lines. The function of HMGB 1 in each sub-pathway remains to be uncovered by future RNAi studies in these cell lines. 2.5. Summary The cellular responses to cisplatin were examined in cultured mammalian cells. The cytotoxicity studies carried out in HMGB1 knockdown HeLa and A549 showed opposite correlations between the HMGB1 expression level and cisplatin cytotoxicity: HMGB1 knockdown increased the cisplatin resistance of A549 but sensitized HeLa to cisplatin. The repair of globally platinated plasmids in HMGB1 knockdown cells was slower than in parental cells. This result is opposite to what is expected from the repair-shielding theory. The intracellular repair assay of site-specifically platinated plasmid in fibroblast cells deficient in 77 specific sub-pathways of NER showed different contributions of TCR and GGR in the repair of different adducts. This different contribution is at least partially responsible for the conflicting results observed in previous in vitro repair assays and intracellular repair assays. Further repair studies in fibroblast cells combined with HMGB1 knockdown is expected to give clues explaining these conflicting results acquired from the two systems. 78 2.6. References (1) (2) (3) (4) (5) (6) (7) (8) (9) Bruhn, S. L.; Pil, P. M.; Essigmann, J. M.; Housman, D. E.; Lippard, S. J. Proc. Natl. Acad Sci. U. S. A. 1992, 89, 2307-2311. Hughes, E. N.; Engelsberg, B. N.; Billings, P. C. J. Biol. Chem. 1992, 267, 13520-13527. Brown, S. J.; Kellett, P. J.; Lippard, S. J. Science 1993, 261, 603-605. Huang, J.-C.; Zamble, D. B.; Reardon, J. T.; Lippard, S. J.; Sancar, A. Proc. Natl. Acad. Sci. U. S. A. 1994, 91, 10394-10398. He, Q.; Liang, C. H.; Lippard, S. J. Proc.Natl. Acad. Sci. U. S. A. 2000, 97, 5768-5772. Zamble, D. B.; Mikata, Y.; Eng, C. H.; Sandman, K. E.; Lippard, S. J. J. Inorg. Biochem. 2002, 91, 451-462. Wei, M.; Burenkova, 0.; Lippard, S. J. J Biol. Chem. 2003, 278, 1769-1773. Huang, J.; Ni, J.; Liu, K.; Yu, Y.; Xie, M.; Kang, R.; Vernon, P.; Cao, L.; Tang, D. CancerRes. 2012, 72, 230-238. Furuta, T.; Ueda, T.; Aune, G.; Sarasin, A.; Kraemer, K. H.; Pommier, Y. Cancer Res. (29) 2002, 62, 4899-4902. Sugasawa, K.; Ng, J. M.; Masutani, C.; Iwai, S.; van der Spek, P. J.; Eker, A. P.; Hanaoka, F.; Bootsma, D.; Hoeijmakers, J. H. Mol. Cell. 1998, 2, 223-232. Sancar, A. Annu. Rev. Genet. 1995, 29, 69-105. Svejstrup, J. Q. Nat. Rev. Mol. Cell. Biol. 2002, 3, 21-29. Mu, D.; Sancar, A. J. Biol. Chem. 1997, 272, 7570-7573. Costa, R. M.; Chigancas, V.; Galhardo Rda, S.; Carvalho, H.; Menck, C. F. Biochimie 2003, 85, 1083-1099. Mu, D.; Sancar, A. Prog.Nucleic Acid Res. Mol. Biol. 1997, 56, 63-8 1. Ang, W. H.; Myint, M.; Lippard, S. J. J. Am. Chem. Soc. 2010, 132, 7429-7435. Park, G. Y.; Wilson, J. J.; Song, Y.; Lippard, S. J. Proc.Natl. Acad. Sci. U. S. A. in press Bulmer, J. T.; Zacal, N. J.; Rainbow, A. J. Cancer Chemother. Pharmacol. 2005, 56, 189-198. Lowe, S. W.; Ruley, H. E.; Jacks, T.; Housman, D. E. Cell 1993, 74, 957-967. May, P.; May, E. Oncogene 1999, 18, 7621-7636. Imamura, T.; Izumi, H.; Nagatani, G.; Ise, T.; Nomoto, M.; Iwamoto, Y.; Kohno, K. J. Biol. Chem. 2001, 276, 7534-7540. Krynetskaia, N.; Xie, H.; Vucetic, S.; Obradovic, Z.; Krynetskiy, E. Mol. Pharmacol. 2008, 73, 260-269. Stros, M.; Ozaki, T.; Bacikova, A.; Kageyama, H.; Nakagawara, A. J. Biol. Chem. 2002, 277, 7157-7164. Fourrier, L.; Brooks, P.; Malinge, J. M. J. Biol. Chem. 2003, 278, 21267-21275. Yuan, F.; Gu, L.; Guo, S.; Wang, C.; Li, G. M. J. Biol. Chem. 2004, 279, 20935-20940. Mello, J. A.; Acharya, S.; Fishel, R.; Essigmann, J. M. Chem. Biol. 1996, 3, 579-589. Chu, G. J. Biol. Chem. 1997, 272, 24097-24 100. Iliakis, G.; Wang, H.; Perrault, A. R.; Boecker, W.; Rosidi, B.; Windhofer, F.; Wu, W.; Guan, J.; Terzoudi, G.; Pantelias, G. Cytogenet. Genome Res. 2004, 104, 14-20. van Gent, D. C.; Hiom, K.; Paull, T. T.; Gellert, M. EMBO J. 1997, 16, 2665-2670. (30) Yumoto, Y.; Shirakawa, H.; Yoshida, M.; Suwa, A.; Watanabe, F.; Teraoka, H. J (10) (11) (12) (13) (14) (15) (16) (17) (18) (19) (20) (21) (22) (23) (24) (25) (26) (27) (28) Biochem. 1998, 124, 519-527. 79 (31) (32) (33) (34) (35) (36) (37) Sawchuk, D. J.; Mansilla-Soto, J.; Alarcon, C.; Singha, N. C.; Langen, H.; Bianchi, M. E.; Lees-Miller, S. P.; Nussenzweig, M. C.; Cortes, P. J. Biol. Chem. 2004, 279, 2982129831. West, R. B.; Lieber, M. R. Mol. Cell. Biol. 1998, 18, 6408-6415. Eastman, A. Pharmacol.Ther. 1987, 34,155-166. Guggenheim, E. R.; Xu, D.; Zhang, C. X.; Chang, P. V.; Lippard, S. J. Chembiochem 2009, 10, 141-157. Zhu, G.; Lippard, S. J. Biochemistry 2009, 48, 4916-4925. Lovejoy, K. S.; Todd, R. C.; Zhang, S.; McCormick, M. S.; D'Aquino, J. A.; Reardon, J. T.; Sancar, A.; Giacomini, K. M.; Lippard, S. J. Proc. Nati. Acad. Sci. U. S. A. 2008, 105, 8902-8907. Wang, D.; Zhu, G.; Huang, X.; Lippard, S. J. Proc. Nati. Acad Sci. U. S. A. 2010, 107, (38) 9584-9589. Cole, R. S. Proc.NatL. Acad. Sci. U. S. A. 1973, 70, 1064-1068. (39) Kuraoka, I.; Kobertz, W. R.; Ariza, R. R.; Biggerstaff, M.; Essigmann, J. M.; Wood, R. D. J. Biol. Chem. 2000, 275, 26632-26636. 80 Chapter 3. Redox State-Dependent Interaction of HMGB1 and Cisplatin-Modified DNA Research in this chapter was published in Biochemistry, 2011, 50, 2567-2574. 81 3.1. Introduction Cisplatin is one of the most widely used anticancer drugs, being effective against a range of tumors including ovarian, genitourinary, lung, head and neck cancers.1 Most noteworthy is the cure rate of testicular cancer, which has increased dramatically following the introduction of 2 cisplatin-based chemotherapy. Cisplatin and its second generation analogues carboplatin and oxaliplatin bind to DNA preferentially at the N7 position of guanine bases,1,3 ,4 inhibiting replication 5'6 and transcription.7~9 The inhibition of those critical DNA-related processes triggers 0 subsequent intracellular events that activate necrotic and apoptotic pathways.1 Despite its outstanding antitumor activity, cisplatin chemotherapy is limited by intrinsic and acquired resistance of certain tumors." Several major mechanisms of cisplatin resistance have been discovered,12, 13 and there have been numerous attempts to overcome the problems based on these mechanisms. One strategy has been to develop analogs of cisplatin with different antitumor profiles, like carboplatin and oxaliplatin.14" 5 Another is to identify intracellular factors that participate in the mechanisms of cisplatin resistance, and to discover ways to control these factors. HMGB1 is a highly abundant and ubiquitously expressed nuclear protein, the defining member of the HMG superfamily. This small, -25 kDa protein functions as a transcription factor that bends DNA and assists other DNA-binding proteins to form their recognition complexes.16' 7 HMGB 1 consists of two tandem DNA binding domains, high mobility group box A and B, and a highly acidic C terminal tail composed of a string of aspartate and glutamate residues. Both domains A and B consist of three a-helices that cooperatively wrap around DNA, approaching from the minor groove, in the DNA-HMG box complex. HMG boxes in HMGB 1 bind to DNA 82 in a structure-specific but sequence-independent manner, with greater binding affinity for 18 19 nonlinear DNA such as bent, kinked, or unwound duplexes. , HMGB 1 as well as the A and B domains binds to platinated lesions on DNA with specificity for 1,2-intrastrand cross-links,2 0 which account for about 90% of the cisplatin-DNA adducts formed in vivo.21,22 HMGB 1 also has binding selectivity for interstrand cross-linked (ICL) versus undamaged DNA, but not 1,3-intrastrand cross-links. 23 HMGB1 domain A binds with greater specificity to platinated DNA than does domain B. In full-length HMGB 1, it is the A domain that mainly binds to platinated lesions, although domain B also plays a role in strengthening the interaction.2 4 An X-ray crystallographic analysis and binding assay revealed details of the interaction between HMGB1 domain A and DNA harboring a cisplatin 1,2-intrastrand d(GpG) cross-link (Figure 3.1).25 A critical feature that dramatically enhances the binding preference of the domain for the platinated DNA is the occurrence of an intercalating residue, Phe37. The phenyl ring of Phe37 inserts into a hydrophobic notch formed in the minor groove across from the two platinum-modified guanine bases, and this stacking interaction significantly stabilizes the overall protein-DNA complexes and leads to an asymmetric positioning of the protein with respect to the platinum cross-link.24 25 The sensitivity of the cells to cisplatin can be altered by changing the expression levels of HMGB1 and other HMG-domain proteins.26-28 Moreover, in vitro repair assays reveal that HMGB1 impedes nucleotide excision repair (NER), the major mechanism by which platinated lesions are removed from DNA. 29 -3'Taken together, these studies suggest that HMGB1 bound to cisplatin-modified DNA shields the platinated lesion from recognition by the repair proteins. A 83 correlation between HMGB1 and cisplatin cytotoxicity, however, is not universally obtained. A cytotoxicity study revealed that the cisplatin sensitivity in genetically modified HMGB 1 knockout mouse embryonic fibroblasts (MEFs) is not substantially different from that of the parental MEF cell line.32 The failure to correlate cell sensitivity to cisplatin with HMG box protein levels indicates either that there is no such correlation or that one or more variable factors among different cell lines alter the HMGB 1-platinated DNA interaction. The present study was undertaken to test one possibility for the latter explanation. Helix I Pe N 'IS L SHelix I Figure 3.1. X-ray crystal structure of the complex between HMGB1 domain A and a 16-bp cisplatin-modified DNA under reducing conditions. 2 5 Phe37 (cyan) inserts between two guanine bases bound to platinum (magenta). Two thiol groups from Cys22 and Cys44 are shown as van der Waals spheres. The hydrophobic core at the interface between helix I and helix H is shown as a bright pink surface. HMGB 1 domain A contains two cysteine residues, in positions 22 and 44, which can form a disulfide bond under mildly oxidizing conditions. 84 Previous work revealed that oxidation or modification of these cysteine thiols decreases the binding affinity of HMGB 1 to various DNA probes, including a cisplatin-modified one.34-36 Recently, the redox properties of HMGB1 domain A were investigated by NMR spectroscopy.3 7 The calculated redox potential of domain A falls within the physiological intracellular redox potential range, which suggests that a significant fraction of HMGB1 will exist in the oxidized form within cells. It is therefore possible that the variability in cellular response to cisplatin as a function of HMG box proteins will reflect the redox state of the cells. In this chapter, the redox-dependent binding of full-length HMGB1 or HMGB1 domain A (HMGBla) to DNA bearing a cisplatin 1,2-d(GpG) intrastrand cross-link will be delineated. The binding properties of HMGB1, HMGBla, and their variants modified to prevent disulfide bond formation were investigated under different redox conditions using electrophoretic mobility shift assays (EMSAs) and hydroxyl radical footprinting analyses. The detailed changes in the nature of binding and their dependence upon redox conditions are discussed in the light of the previously reported crystal structure of HMGB 1 domain A bound to platinated DNA probe under reducing conditions. This study allows an assessment of the importance of the HMGB 1 redox state for the efficacy of the anticancer action of cisplatin and other bifunctional platinum-based drugs. 3.2. Experimental 3.2.1. Expression and Purification of HMGB1 Proteins Wild type HMGBla and its variants were expressed in E. coli from pET32 Xa/LIC.24 Codons for one or both of the cysteine residues in HMGB 1a were replaced with those for alanine or serine by the Stratagene QuikChange site-directed mutagenesis kit protocol, and the modified 85 plasmids were transformed into BL21 (DE3) cells. The transformed cells were grown in LB medium with 100 pg/mL ampicillin at 37 'C and 100 rpm. When OD600 was 0.5-1.0, IPTG was added at a final concentration of 50 tM to induce gene expression. After induction, cells were incubated at 28 'C for 14-16 h and harvested by centrifugation. Proteins were extracted by sonication and purified with a Ni-NTA column (Novagen). N-terminal peptides including a histidine tag were proteolytically cleaved from the eluted HMGBla protein variants by Factor Xa and removed by passage down a Macro-prep high S cation exchange column (Bio-Rad). Purified HMGBla and its variants were dialyzed against storage buffer (10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mM EDTA, 0.1 mM PMSF). For disulfide bond formation, protein solutions were dialyzed overnight against storage buffer containing 5 IM CuCl 2 and then redialyzed against buffer lacking CuCl 2. The absence of free thiols in wild type HMGB 1a was confirmed by a Thiostar assay (Arbor Assays). For the expression of the full-length protein, an HMGB 1 coding gene with an N-terminal His-tag in the pET30 Xa/LIC vector2 4 was transformed into pET22b (+) for increased efficiency of expression and purification. In addition to mutations at Cys22 and Cys44 in domain A, Cys105 was replaced by serine to prevent formation of undesired disulfide bonds during oxidative dialysis. Proteins were expressed analogously to HMGBla proteins, except that induction was carried out for 4 h at 37 'C. Following initial purification on a Ni-NTA column, the N-terminal tag was removed by Factor Xa treatment, as indicated above. Full-length HMGB1 proteins were isolated by using DEAE anion exchange column. Purified proteins were dialyzed as for HMGB1a proteins. The concentrations of proteins were determined by UV spectroscopic and BCA assays. 3.2.2. Platination, Purification, and Characterization of 25-bp DNA Probes 86 25-bp DNA duplexes with central platinum-binding sequences were used as DNA probes for electrophoretic mobility shift and footprinting assays. To compare the binding affinity of HMGBla to DNA probes with different platinated adducts, cisplatin 1,2-d(GpG) intrastrand cross-linked, cisplatin 1,3-d(GpTpG) intrastrand cross-linked, and pyriplatin dG probes were prepared (Table 3.1). Table 3.1. Sequence of 25mer Oligonucleotides with Different Types of Cisplatin Binding Sequences Sequence Probe (Type) Oligonucleotide 25TGGA-PtA 2a 25TGGAts 5'- CCTCTCCTCTCTGGATCTTCTCTCC - 3' (1,2-d(GpG)) 25TGGAbs 5' - GGAGAGAAGATCCAGAGAGGAGAGG - 3' 25TGTG-PtA 2 25TGTGts 5'- CCTCTCCTCTCTGTGATCTTCTCTCC - 3' (1,3-d(GpTpG)) 25TGTGbs 5' - GGAGAGAAGACACAGAGAGGAGAGG - 3' 25TGTC-PtPy 25TGTCts 5'- CCTCTCCTCTCTGTCATCTTCTCTCC - 3' (mono-dG) 25TGTCbs 5' - GGAGAGAAGAGACAGAGAGGAGAGG -3' aBold Gs are the platination sites. All platinated top strands and their complementary bottom strands were purchased from Integrated DNA Technologies and purified by preparative ion exchange HPLC on a Dionex DNApac PA-100 (9 x 250 mm). To prepare for platination, cisplatin and pyriplatin were first activated by incubating with 1.95 molar equiv or 0.95 molar equiv of AgNO 3, respectively, for 4 h at room temperature. Solid AgCl was removed via a 0.45 pm syringe filter. Purified top strands were incubated with 1.2 molar equiv of activated platinum compounds at 37 'C overnight. Platinated oligonucleotides were then purified by ion exchange HPLC (Figure 3.2). The DNA concentration was determined by UV-Vis spectroscopy and the Pt/DNA ratio was calculated based on the platinum concentration measured by flameless atomic absorption spectroscopy. The nucleosides and platinated guanosines were quantitated by analytical 87 HPLC on a SUPERCOSILMLC- 18-S (4.6 x 250 mm) column of SI-nuclease digestion (Promega) products after further treatment by calf-intestinal phosphatase (CIP) reaction (New England Biolabs) (Figure 3.3). (A) 25TGGA-PtA 2 [NaCq= 0A56 M **0 60- 25TGGA = 0.480 M D-[NaC 0 0 16 0 20 2-3mhvi (B) (C) Figure 3.2. Ion exchange HPLC purification of platinated 25mer oligonucleotides. The platinated oligonucleotides containing cisplatin 1,2-intrastrand cross-link (A), pyriplatin monofunctional adduct (B), or cisplatin 1,3-intrastrand cross-link were separated by running a linear gradient of [NaCl] in 25 mM Tris-HCI (pH 7.4) buffer system. The peaks of desired platinated product and non-platinated oligonucleotides are labeled together with the estimated NaCl concentration at the time of elution. There are several multi-platinated byproducts in addition to the major product. 88 (A) mAU 200 150 100 50 0 0 (B) mAu 120 30 min C T Base Calc Obs 100 s8 20 40 20 0 C 13 13.1 G T 0 11 0 10.9 A 0 0 -1 0 10 20 ()mAU 12U (C) Base CCalc 100 so Obs W 30 min C G T A 12 0 11 0 12.1 0 10.9 0 40200 10 20 30 min Figure 3.3. S1 nuclease digestion of platinated 25mer oligonucleotides. 25TGGAts-PtA 2 (A), 25TGTCts-PtPy (B), and 25TGTGts-PtA 2 (C) were digested by S1 nuclease and then dephosphorylation by CIP. Deoxynucleosides were separated by running a linear gradient of methanol to 100 mM sodium acetate (pH 5.2) solution. The ratio of each deoxynuclesoide was calculated based on the area of each peak. 3.2.3. Electrophoretic Mobility Shift Assays The single-stranded complements of the strands containing a central platinated lesion (~10 pmol) were radiolabeled at the 5' end with [y- 32 P]ATP by using polynucleotide kinase (PNK). PNK was heat-deactivated at 70 *C for 30 min and removed by phenol extraction. Radiolabeled oligonucleotides were annealed with cisplatin-modified or unmodified strand in annealing buffer (50 mM Tris-HCl, pH 7.5, 100 mM NaCl, 1mM MgCl 2 ) by cooling the temperature slowly from 95 'C to 4 'C over 3 h. Differing amounts of HMGB1 proteins were 89 incubated in a final volume of 15 ptL with the annealed probe in binding buffer (10 mM HEPES pH 7.5, 10 mM MgCl 2 , 50 mM LiCl, 100 mM NaCl, 0.05% Nonidet P-40) for approximately 30 min on ice. DTT or P-mercaptoethanol was used as a reducing reagent at concentrations varying from 100 pM to 10 mM. After incubating on ice, 1.5 tL of loading buffer (7% sucrose, 0.17% ficoll 400, xylenol cyanol) was added prior to loading onto a 10% native polyacrylamide gel (37.5:1 acrylamide:bisacrylamide). The gel was run at 300 V for 1.33 h with cooling by cold water in 0.5x TBE, dried at 80 'C for 1 - 2 h, and visualized on a Storm Phosphorimager (Amersham Bioscience). The dissociation constant Kd, defined K _ = [P][D] ___ [P-D] (1) 1 in eq 1, was computed, where [P], [D], and [P D] are the concentrations of protein, DNA, and protein-DNA complex, respectively. The fraction of the protein-bound oligonucleotide, 0, was derived from eq (1) as indicated in eq 2. The dissociation constant Kd was approximated as the total protein concentration at the point in the titration where the fraction of protein-bound DNA is 0.5. The Kd values for the different variants were determined as an average of at least three independent trials. 6= P Ka + P (2) 3.2.4. Hydroxyl Radical Footprinting Assay Approximately 15 nM of DNA probe containing a radiolabel at the 5' end of the complementary strand were incubated with the indicated amounts of protein on ice for 30 min 1 h in 20 ptL of binding buffer with or without added reducing reagent. A 5 pL aliquot of the 90 reaction solution was loaded onto a 10% native polyacrylamide gel and electrophoresis was performed to confirm that most of the labeled DNA was bound to protein. Footprinting was initiated by adding a mixture of 2 pL 100 mM sodium ascorbate, 2 ptL 1.5% H2 0 2 , and 2 pL 25 mM/50 mM Fe(II)(NH4) 2(SO4) 2/EDTA. After 2 min, the reaction was quenched by addition of 10 pL of a 1 M thiourea solution. Proteins and salts were removed by phenol extraction and ethanol precipitation. A pellet containing the cleaved product was dissolved in 8 PL of loading buffer (100% formamide, bromophenol blue) and resolved in a 15% denaturing urea polyacrylamide gel (19:1 acrylamide:bisacrylamide). 3.3. Results 3.3.1. Binding Affinity of Wild Type HMGB1a to Platinated DNA Under Different Redox Conditions The binding affinity of wild type HMGBla to DNA containing a cisplatin d(GpG) intrastrand cross-link was examined under different redox conditions by EMSA. The absence of free thiol in recombinant HMGBla was confirmed by a Thiostar assay. The fraction of the reduced form of HMGBl a was less than 1/1000 of total protein. Purified wild type HMGBl a had greater than 1000-fold higher binding affinity to cisplatin-1,2-d(GpG) intrastrand cross-linked DNA compared to unmodified DNA under reducing conditions (Figure 3.4.A). In addition, there was no significant binding of HMGBla to a platinated DNA probe bearing a 1,3-intrastrand cross-link or a pyriplatin monofunctional adduct, even at micromolar concentrations of HMGB 1a (Figure 3.4.B). 91 (A) 1 3 2 (B) 4 1,2-d(GpG) 1 2 3 4 6 5 8 7 9 1,3-d(GpTpG) 5 6 7 8 9 10 mono-dG 10 11 12 13 14 15 Figure 3.4. EMSA analysis of wild type HMGBla binding to the different DNA probes. (A) EMSA analysis of HMGBla bound to cisplatin-1,2-intrastrand cross-linked (lanes 1,3,5,7,9) and unmodified (lanes 2,4,6,8,10) 25TGGA DNA probe under reducing conditions (10 mM DTT). Protein concentrations were 0.3 nM (lanes 1,2), 3 nM (lanes 3,4), 30 nM (lanes 5,6), 300 nM (lane 7,8), and 3 stM (lanes 9,10). (B) HMGBla is incubated with 1 nmol of cisplatin-1,2-intrastrand crosslinked (lanes 1-5), cisplatin 1,3-intrastrand cross-linked (lanes 6-10), or pyriplatin monofunctionally platinated (lanes 1115) 25-bp DNA probe and analyzed by EMSA. Protein concentrations were I nM (lanes 1, 6, 11), 10 nM (lanes 2, 7, 12), 100 nM (lanes 3, 8, 13), 1 pM (lane 4, 9, 14), and 10 pM (lanes 5, 10, 15). Under non-reducing conditions, the dissociation constant of oxidized HMGB 1a bound to the platinated probe was computed to be 7.6 nM. This value did not change significantly when H2 0 2 was added to the binding buffer, as expected from the Thiostar assay result. Under reducing conditions, HMGB 1a exhibited a greater than 10-fold increase in binding affinity (Kd = 0.72 nM) compared to that observed under non-reducing conditions (Figure 3.5). There was no significant change in binding affinity with different concentrations of the reducing agent dithiotreitol (DTT) in the range from 0.1 to 10 mM, or when p-mercaptoethanol was used instead 92 of DTT (Figure 3.6.A). HMGB1a has a high binding specificity for cisplatin-modified DNA over unmodified DNA. Oxidized domain A am dot 1 2 3 4 Reduced domain A Offt oo am o. .~ ~ 5 6 ~ 7 8 9 10 11 12 13 14 1Z~ 0.8 - Wo 0.6OA 0.2- o.-.00 . 0.1 ..... ................ 10 1 100 [Protln) (nM) Figure 3.5. EMSA analysis of wild type HMGBla bound to the cisplatin-modified DNA probe under different redox conditions. Various amounts of proteins were incubated under non-reducing condition or in the presence of 1 mM DTT with a radiolabeled 25-bp probe containing a central 1,2-intrastrand cross-link (-0.1 nM) (top). Protein concentrations were 0.25 nM (lanes 1,8), 0.5 nM (lanes 2,9), 1 nM (lanes 3,10), 2.5 nM (lane 4,11), 5 nM (lanes 5,12), 10 nM (lanes 6,13), and 25 pM (lanes 7,14). The fraction of DNA probe bound to oxidized (blue) or reduced (red) domain A is plotted as a function of protein concentration and the solid line is the fit of the data to eq 2 (bottom). 2.3.2. Site-Directed Mutagenesis of Cysteine Residues To examine the role of cysteine residues on the binding of HMGB 1a to platinated DNA, assays of singly or doubly mutated recombinant HMGBla proteins C22A, C44A, C44S, C22A/C44A, and C22S/C44S were carried out. There was no evidence of dimer formation by intermolecular disulfide bond formation involving two singly modified variants on non-reducing SDS-PAGE. Unlike the wild type HMGB 1a, no variant displayed a significant difference in 93 binding affinity for reducing versus non-reducing conditions (Figure 3.6.B,C), due to an inability to form the intramolecular disulfide bonds. All variants exhibited lower binding affinity compared to wild type HMGBla under reducing conditions (Table 3.2). (A) no tUincing agent 3 2 1 4 5 6 5 mM 5 mM DTT P-enercptoetanol 7 8 9 10 11 12 13 14 15 (B) 5 mM 2 1 4 3 5 mM IB-erc ateha DTT no reduidng agent 5 9 10 1112 13 1415 8 7 6 (C) no redudng agent 5 mM DTT 1 2 3 4 5 6 7 8 9 10 11 12 13 14 Figure 3.6. The influence of reducing reagent on the binding of HMGB1a to cisplatin-modified DNA. EMSA assays of 0.1 nM cisplatin-modified DNA probe with (A) wild-type HMGB1a at the concentrations of 0.16 nM (lanes 1, 6, 11), 0.8 nM (lanes 2, 7, 12), 1.6 nM (lanes 3, 8, 13), 8 nM (lanes 4, 9, 14), and 16 nM (lanes 5, 10, 15), incubated with labeled probe in binding buffer without reducing agent (lanes 1-5), in the presence of 5 mM DTT (lanes 6-10), or with 5 mM Pmercaptoethanol (lanes 11-15), (B) C22S/C44S doubly mutated HMGBla with the same concentration and redox conditions as in (A), or (C) C44S variant of HMGB1a at the concentrations of 0.28 nM (lanes 1, 8), 0.56 nM (lanes 2, 9), 0.92 nM (lanes 3, 10), 1.84 nM (lanes 4, 11), 2.76 nM (lanes 5, 12), 4.6 nM (lanes 6, 13), and 9.2 nM (lanes 7, 14) under reducing (lanes 1-7) or non-reducing (lanes 8-14) conditions. Variants with serines replacing cysteines showed slightly higher binding affinity than those having alanines, presumably because of the more conservative nature of the replacement. 94 Singly mutated variants have higher binding affinity than doubly mutated ones. The doubly mutated variant C22A/C44A showed the lowest relative binding affinity, however, compared to that of fully oxidized wild type HMGBla, its binding affinity is approximately 2-fold higher. The dissociation constant of the C22A variant represented the strongest binding affinity to cisplatin-modified DNA among domain A variants, although approximately 1.5-fold weaker than wild type HMGBla under reducing conditions. Also, the C22S/C44S doubly mutated variant showed similar binding affinity to the C44S singly mutated variant. These differences in binding affinity indicate that the mutation of each cysteine into a different amino acid slightly decreases the binding interaction between protein and DNA. This effect is not as strong as that of domain A oxidation; presumably the influence of modifying Cys22 is slightly less than that of altering Cys44. Table 3.2. Dissociation Constants of Wild-Type and Variants of Domain A Binding to a 25-bp Double-Stranded DNA Probe Containing a Site-Specific 1,2-d(GpG) Cross-Link as Determined by Electrophoretic Mobility Shift Assays Protein Kd (nM) Wild type (red) 0.70 Wild type (ox) 7.58 ± 0.74 C44S 1.60 0.07 0.44 C22S/C44S 1.65 ± 0.37 0.42 C22A 1.12 ±0.14 0.63 C44A 2.41 ±0.31 0.29 C22A/C44A 3.40 ±0.74 0.21 Kd(WT,red) /Kd 1 0.10 0.092 95 3.3.3. Hydroxyl Radical Footprinting The intercalating residue Phe37 is positioned at the start of helix II of domain A and clamped by two guanine bases of the platinum cross-link. Because of this interaction, HMGB 1 domain A interacts with the DNA probe mainly downstream of the cisplatin lesion. The hydroxyl radical footprinting pattern of HMGB1 extends to the 3' side of the 1,2-d(GpG) cross-link site, reflecting this asymmetry. The resulting footprint provides a unique signature of HMGB1 domain A binding to platinated DNA that is not observed for the platinated DNA bound to most of other HMG proteins, which display more symmetrical footprinting patterns with respect to the platinated lesion. The hydroxyl radical footprinting assays of wild type HMGB1a and its variants were carried out in order to investigate possible changes in the protein-DNA interface induced by formation of a disulfide bond or replacement of cysteines in the protein. Analysis of the EMSA patterns from aliquots of DNA-protein mixtures prior to initiating the footprinting reaction chemistry showed that greater than 95% of the DNA probe exists in a protein-bound state. The hydroxyl radical footprinting patterns of wild type HMGB1a both under non-reducing and reducing conditions are indistinguishable and display the asymmetry of the previous HMGB 1 footprint. In addition, none of the variants of domain A produced a footprinting pattern different from that of wild type HMGBla (Figure 3.7). In a control study, a mobility shift assay of oxidized domain A incubated with platinated DNA probes in binding buffer was performed in the presence of additional hydrogen peroxide or sodium ascorbate, reagents used to generate the hydroxyl radical (Figure 3.8). The results confirmed that these redox active agents do not alter the redox state of the protein significantly during footprinting reactions. 96 Lane 1 2 3 Counts 5 T C T C A T 4 Ol* 200mm * C T Counts C T C T 3 100 200mm Figure 3.7. Footprinting analysis of HMGB1 domain A bound to the cisplatin-modified DNA probe. (A) Single-stranded DNA was radiolabeled at the 5' end with [y-P3 2pATP and annealed to its complementary strand containing a 1,2intrastrand d(GpG) cisplatin cross-link. A 15 nM portion of double-stranded probe was incubated without any protein (lane 1), with ~ 600 nM of fully oxidized wild type domain A under non-reducing conditions (lane 2), with 1 mM DTT (lane 3), or C22A/C44A doubly mutated domain A (lane 4) followed by hydroxyl radical cleavage. (B) Plot of the intensity of each cleaved DNA band from the hydroxyl radical footprinting experiments in A: lane 1 (black), lane 2 (blue), lane 3 (red), and Land 4 (green). All footprinting patterns matched that of a previously reported footprinting pattern of wild type domain A under reducing conditions. (C) Plot of the intensity of each cleaved DNA band from the hydroxyl radical footprinting study of oxidized/reduced forms of HMGB1 A domain. The footprinting patterns of DNA probe bound to oxidized and reduced wild type domain are nearly identical. 97 (A) 2mM If^ 1 mM DiT 1 2 5 4 3 6 7 9 8 (B) MD medx eent 2 10 11 0.1 mM 1 2 3 4 5 10 mM uodiuunm nscrtu MD redox rament 1 mM DIf 7 6 8 14 15 12 13 9 udio acrbimtn* 10 n 12 Figure 3.8. EMSA analysis of wild type domain A binding to cisplatin-modified DNA probe, incubated in the presence of the reagents used to generate hydroxyl radicals. (A) Protein-DNA mixtures were incubated in binding buffer with the reducing reagent DTT, oxidizing reagent H 20 2 , or no added reagent. (B) Protein-DNA mixtures were incubated in binding buffer with DTT, sodium ascorbate, or with no added reagent. *Sodium ascorbate was added to the binding buffer at a final concentration of 10 mM about 5 min before loading. 3.3.4. Studies of Full-Length HMGB1 Following purification by Ni-NTA and DEAE column, full-length wild type HMGB1 was dialyzed against storage buffer including 5 pM CuCl 2 for disulfide bond formation between Cys22 and Cys44. The SDS-PAGE analysis under non-reducing conditions revealed two bands with molecular weights of ~50 kDa and ~25 kDa. Complete conversion of the 25 kDa band to the 50 kDa band was observed when the purified proteins were incubated with CuCl 2 at a final concentration of 5 pM for 3 h at 4 'C, whereas DTT treatment converted the 50 kDa band to the 25 kDa band (Figure 3.9.A). Because the same treatment of HMGB 1a yielded the oxidized form but not a dimer, it appears that the 50 kDa band is a result of an intermolecular disulfide bond involving Cys105 in domain B. Cys105 was therefore replaced by serine using site-directed 98 mutagenesis to prevent such undesired dimer formation. Purified C 105S HMGB 1 was dialyzed in the presence of 5 pLM CuCl 2. After being resolved by 18% non-reducing SDS-PAGE, oxidized C 105S HMGB1 presented a single band (Figure 3.9.B, lanes 1,2) with no trace of dimer. There was no change in electrophoretic mobility when the protein was treated with 1 mM diamide, a thiol oxidizing reagent (Figure 3.9.B, lanes 3,4). Treatment with 1 mM DTT converted most of the protein to the one with slower electrophoretic mobility (Figure 3.9.B, lane 5), which we attribute to reduction of the disulfide bond between Cys22 and Cys44. Most of the wild type HMGB 1, prior to oxidative dialysis, existed as the reduced form (Figure 3.9.B, lanes 6,7). The electrophoretic mobility of a C22A/C44A/C105S triple mutant full-length HMGB1 is the same as that of reduced, wild type HMGB 1 (Figure 3.9.B, lanes 8,9). (A) 1 2 3 4 5 6 (B) 1 2 7 8 3 4 5 6 7 8 9 Figure 3.9. SDS-PAGE analysis of full-length HMGB1 in different redox states. (A) Purified wild type full-length HMGB1 was resolved on a 4-20% gradient SDS gel containing no redox reagent (lanes 1,2), 10 mM DTT (lanes 3,4), 10 mM diamide (lanes 5,6), and 5 pM CuC12 (lanes 7,8). For each sample, 20 pmol (lanes 1, 3, 5, 8) or 40 pmol (lanes 2, 4, 6, 7) were loaded into the wells. There is a band with higher molecular weight that is assumed to be the HMGB1 dimer observed in lanes 7 and 8. (B) Various full-length HMGB1 proteins under different redox conditions were resolved on an 18% SDS gel. A C1O5S variant dialyzed against buffer containing 5 pM CuC12 was loaded without any redox reagent (lanes 1,2), after incubation with 1 mM diamide (lanes 3,4), or 1 mM DTT (lanes 5). For comparison, wild type full-length HMGB1 (lanes 6,7) and triply mutated C22A/C44A/C1OSS protein (lanes 8,9) were resolved together. There are two bands with different electrophoretic mobilities. 3.3.6. Redox-Dependence of the Binding of Full-length HMGB1 to Cisplatin-Modified DNA The binding of full-length HMGB1 and its variants was investigated under different redox conditions. The binding of full-length HMGB1 to the 25TGGA-PtA 2 probe was determined by EMSA analyses (Table 3.3). The Kd value of wild type HMGB1 was calculated to be 110 nM in the presence of 10 mM DTT, in agreement with the previously reported value 99 (Figure 3.10.A).2 The Kd value of the C105S variant was determined to be 120 nM in the presence of DTT, which is comparable to that of wild type protein. This variant exhibited a greater than 10-fold decrease in binding affinity under non-reducing conditions (Figure 3.10.B). To prevent precipitation of DNA due to a large protein-to-DNA ratio, an increased concentration of 25TGGA-PtA 2 probe was used for the binding analysis of C105S under non-reducing conditions. No significant change in binding affinity of HMGB1 for the 25TGGA-PtA 2 probe was observed over a 1 to 10 mM DTT concentration range. The dissociation constant of triply mutated C22A/C44A/C105S HMGB1, corresponding to the C22A/C44A doubly mutated variant of HMGBla, was 240 nM. There is no redox-dependence in the case of C22A/C44A/Cl05S HMGB1 (Figure 3.10.C). Table 3.3. Dissociation Constants of Wild-Type and Variants of Full-Length HMGB1 Binding to a 25-bp Double-Stranded DNA Probe Containing a Site-Specific 1,2-d(GpG) Cross-Link as Determined by Electrophoretic Mobility Shift Assays Protein Kd C105S (red) 120 ±40 1 C105S (ox) 1390±330 0.086 Wild type (red) 110 ±20 1.09 C22A/C44A/C105S 240± 50 0.50 (nM) Kd(C1oSs,red) 100 /Kd 0.7 - 0.6 CIO5S variant Wild Type HMGBI (A) 0.s inooqm - OA Z0.3 0.2 0.1 1 2 3 5 4 6 7 8 10 U1213 14 9 IProli ngM) (B) No DTT (C10%S, 1 10mMDTT 1mMDTT 0.8 I.e 006 OA 0.2 1 2 3 4 6 5 7 8 9 10 11 12 13 14 15 0 1 (C) No DTT mW 1 5 mM OTT 0.1 mM OTT go a N4 0.8 UWPQq0.6 0.2 23 45 6 78 9 101112 13 14 15 0 [ProtIn](nM) Figure 3.10. EMSA analysis of full-length HMGB1 and its variants bound to the cisplatin-modified DNA probe. (A) Wild type and C105S HMGB1 were incubated with the 25TGGA-PtA 2 probe (-1 nM) in the presence of 10 mM DTT (left). The protein concentrations of wild type HMGB1 were 7.2 nM (lanes 1), 24 nM (lane 2), 48 nM (lane 3), 120 nM (lane 4), 240 nM (lane 5), 480 nM (lane 6), and 720 nM (lane 7), and the concentrations of C105S variant were 9.6 nM (lane 8), 24 nM (lane 9), 48 nM (lane 10), 96 nM (lane 11), 120 nM (lane 12), 240 nM (lane 13), and 480 nM (lane 14). The fraction of protein-bound probe is plotted as a function of protein concentration (right). (B) After oxidative dialysis, C105S HMGB1 was incubated with 25TGGA-PtA2 (10 nM) in the non-reducing conditions (lanes 1-5) or in the presence of 1 mM (lanes 610) or 10 mM (lanes 11-15) DTT and analyzed by EMSA (left). The protein bound fraction of DNA is plotted as a function of protein (right). Proteins concentrations were 16 nM (lanes 6, 11), 28 nM (lanes 7, 12), 80 nM (lane 8, 13), 120 nM (lane 9, 14), 160 nM (lanes 10, 15), 500 nM (lane 1), 1pM (lane 2), 2pM (lane 3), 3pM (lane 4), and 4pM (lane 5). (C) The binding affinity of the triply mutated C22A/C44A/C105S HMGB1 to 25TGGA-PtA 2 (1 nM) was analyzed by EMSA in the non-reducing conditions (lanes 1-5) or in the presence of 0.1 mM (lanes 6-10)/5 mM (lanes 11-15) DTT (left) and the bound fraction of DNA is plotted as a function of protein (right). Proteins concentrations were 40 nM (lanes 1, 6, 11), 100 nM (lanes 2, 7, 12), 200 nM (lane 3, 8, 13), 400 nM (lane 4, 9, 14), and 600 nM (lanes 5, 10, 15). 101 3.4. Discussion 3.4.1. Interaction of Cisplatin-Modified DNA with HMGB1a in Different Redox States HMGB1 plays critical roles in many important biological mechanisms, being active not only within the nuclei of cells but also as a cytokine when released to the extracellular matrix.1',, HMGB1 contains two tandem HMG boxes, different in sequence but similar in tertiary structure to one another. Both HMG box domains have a strong structure-specific binding preference for non-linear DNA, including cisplatin-modified DNA. Interestingly, the nature of the binding interaction of the two domains to DNA bearing a cisplatin 1,2-d(GpG) intrastrand platinum cross-link is completely different, owing to the positions of the main intercalating residues.4 0 '4 1 Intercalating residues are a conserved feature of HMG boxes that play critical roles in stabilizing the complex and distorting DNA structure. In the case of cisplatinmodified DNA, one of the intercalating residues strongly interacts with the two platinated guanines. When full-length HMGB1 binds to the cisplatin-modified DNA, it is mainly domain A that interacts with the platinum lesion. 24 The Phe37 intercalating residue in domain A is positioned at the beginning of helix II of the domain and, therefore, HMGB1 domain A mainly interacts at the 3' side of the platinated lesion.' 40 The main intercalating residue in domain B, and in most other HMG box proteins, is located in the middle of helix I, resulting in an overall symmetrical binding pattems. Under physiological conditions, HMGB1 can exist in two different redox states, depending upon the presence or absence of a disulfide bond between Cys22 and Cys44 in domain A.33 With the use of a precipitation assay using globally platinated DNA, an early study established that the binding affinity of HMGB 1 decreases under oxidizing conditions and that the 102 oxidation involves cysteine residue not specifically identified in the protein.36 Our results establish that the conversion between reduced and oxidized forms of domain A, involving Cys22 and Cys44 residues, regulates the binding interaction between HMGB 1 and the major cisplatinDNA adduct, a 1,2-d(GpG) intrastrand cross-link. Mutagenesis experiments involving these cysteine residues provide clues about their roles in regulating the DNA binding properties of HMGB 1 to cisplatin-modified DNA in the cellular context, as discussed below. 3.4.2. Change of HMGB1a Conformation Induced by Disulfide Bond Formation and Protein Interaction with DNA Cys22 and Cys44, which can form an intramolecular disulfide bond, are located at the center of the helix I and helix II of HMGB1 domain A, respectively (Figure 3.1). The X-ray crystal structure of the protein-DNA complex shows that those cysteines are located at the inner side of the interface between two helices and face each other. The distance between the two sulfur atoms in this structure is 4.25 A, which is approximately twice the length of a disulfide bond.2 s This short distance implies that the overall conformation of the complex should not be dramatically altered by disulfide bond formation. The footprinting patterns of oxidized wild type domain A and domain A variants are identical to that of reduced HMGB1 domain A (Figure 3.7). The similarity of footprinting patterns indicates a high degree of conservation of the interactions between the residues in HMGB 1 domain A and the DNA probe in the complex, including the critical n-n stacking and face-to-edge interactions between the Phe37 side chain and the two platinated guanine bases. Despite the similarity of the protein-DNA footprinting, there is a 10-fold weakening of the binding affinity of HMGB 1a upon intramolecular disulfide bond formation. One possible 103 explanation for this phenomenon is that the two cysteine residues interact directly with the platinated DNA and that lack of such an interaction in the oxidized form causes a decrease in binding affinity. The distances between the cysteine residues and atoms in the DNA probe, however, are too long for any direct interaction as revealed by the crystal structure of the complex. Another possibility is that formation of a disulfide linkage alters the conformation of domain A, possibly changing the alignment of the first and second helices and preventing formation of the optimal conformation for DNA binding. There are several amino acid residues close to two cysteines that interact both directly and indirectly with the DNA probe. A change of relative positions of these residues with respect to the DNA, induced by disulfide bond formation between the two cysteines, might be expected to destabilize the protein-DNA complex. Previous studies revealed that the higher binding affinity of HMGB 1 under reducing conditions is not limited to cisplatin-modified DNA, but is generally applicable to other non-linear DNA probes.14 3,' Thus disulfide bond formation may influence the binding of HMGB 1 to other forms of DNA probes in a similar manner. Unlike the case of wild type domain A, the presence of a reducing reagent does not influence the binding affinity of domain A variants to cisplatinmodified DNA probes, which suggests that no other redox chemistry except the breaking of a disulfide bond occurs under the conditions used in the present study. Cys22 and Cys44 are conserved in three main HMGB proteins, HMGB1, 2, and 3, which suggests the disulfide bond formation may play a pivotal role in regulating functions of HMGB proteins as transcription factors. 3.4.3. Influence of Cysteines on Conformation of HMGB1a The variants of domain A do not exhibit redox-dependent changes in binding affinity for platinated DNA, but their interaction with the cisplatin-modified duplex is not as strong as that of 104 the reduced wild type protein. The latter property is presumably a consequence of the lack of stabilizing interactions between the cysteine mercaptomethyl side chains and the neighboring amino acids with the platinated DNA. There is a hydrophobic core at the interface between helix I and helix II, and two cysteines are positioned at the center of the core (Figure 3.1).40 It is not uncommon that replacement or modification of cysteines by other residues in a hydrophobic environment decreases the stability and activity of proteins.42 Both a previous NMR study of the C22S variant of domain A45 and the X-ray crystal structure of wild type domain A25 reveal the side chain of Cys44 to be buried in the hydrophobic core of the protein, whereas that of Cys22 in the unmodified protein and Ser22 in the C22S variant are more exposed to solvent and lie outside of the helix I/helix II interface. The relatively small decrease in binding affinity induced by the replacement of the Cys22 supports this analysis. Because the effect of the mutations on binding affinity is less than that of oxidizing the cysteine residues, we conclude that disruption of hydrophobic interactions between the protein and platinated DNA is less important than formation of a disulfide linkage. 3.4.4. Binding Properties of Reduced and Oxidized Full-Length HMGB1 and its Variants The effect of the three cysteine residues in HMGB 1 on DNA binding were investigated in previous in vitro studies. 3 3 A significant increase of cytosolic HMGB1 was observed when Cys 105 was replaced by serine, suggesting that this residue is an essential factor for the nuclear transport of HMGBl. The effect of replacing Cys22 or Cys44 by serine on the cellular distribution of HMGB1 was negligible. On the other hand, Cys22 and Cys44 readily formed a disulfide bond when the cells were incubated with 0.5 mM diamide prior to protein extraction, whereas intra/intermolecular disulfide formation involving Cys105 was not observed under the same conditions. This intramolecular disulfide bond increases the electrophoretic mobility of 105 HMGB 1 on denaturing gels, presumably by preventing complete disruption of the tertiary structure (Figure 3.9). Cys 105 is located in the middle of helix I in domain B, close to the intercalating residue Phe102. The affinities of wild type HMGB1 and its C105S variant to platinated DNA were not significantly different, implying that Cys105 is not critical for interaction between full-length HMGB 1 and platinated DNA. Under non-reducing conditions, the C105 S variant of full-length HMGB 1 exhibits micromolar binding affinity that is more than 10 times weaker than the value measured under the reducing conditions. This trend is similar to that for HMGBl a. This result suggests that the decrease of binding affinity of domain A by oxidation is directly reflected in that of full-length HMGB 1. 3.4.5. In Vivo Redox Chemistry of HMGBI HMGB1 is a DNA-binding protein that recognizes cisplatin 1,2-intrastrand cross-links with a high preference over unmodified DNA. In vitro repair assays revealed a dramatic reduction in NER efficacy in the presence of excess HMGB1, and binding of HMGB1 might function to increase the anticancer efficacy of cisplatin by shielding the lesions from repair proteins. Unlike studies in vitro, however, attempts to alter the sensitivity of cells to cisplatin by controlling HMGB1 expression levels have not been uniformly successful, with the results depending on conditions and the types of cell lines used in the individual studies. Disulfide bonds are the most common covalent linkages between protein side chains. Thiol-disulfide conversions can change important properties of proteins, including local/global conformations and metal-binding affinity in a redox-dependent manner and thereby regulate many critical intracellular functions. 47' 48 The stability of the disulfide bond under physiological 106 conditions is highly sensitive to the redox potential of the cysteine/cystine redox pair, which is determined by the protein local environment. HMGB1 domain A has two cysteine residues adjacent to each other in its tertiary structure (Figure 3.1). The standard redox potential of the intramolecular disulfide bond of domain A is - 237 ± 7 mV (vs. NHE), as determined in an NMR study investigating the redox properties of the protein.37 This value is in the normal cellular range of redox potentials as determined by the redox state of the GSH/GSSG couple. 49 Therefore, if the redox potential of full-length HMGB1 does not substantially differ from that of domain A, even subtle alterations of intracellular redox potential at different stages in the cell cycle or in different types of the cell will dramatically alter the ratio of oxidized to reduced levels of HMGBl. An increase of the fraction of oxidized HMGB1 will decrease the binding strength of HMGB1 to the platinated lesion and consequently diminish its ability to shield the damaged duplex from the excision repair protein. It is therefore conceivable that variations in the redox state of the HMGB1 can explain the controversial results in previous attempts to establish a correlation between expression levels of HMGB1 and cisplatin cytotoxicity. Recently, HMGB4, a new member of HMGB protein superfamily, was discovered. HMGB4 is expressed exclusively in testis. Unlike other HMGB proteins, there is a tyrosine instead of a cysteine in position 22 in human HMGB4. Because HMGB4 does not have a Cterminal acidic tail which decreases the binding affinity of other HMGB proteins to DNA, we expect that HMGB4 would display stronger, redox-independent binding to platinated DNA. The interaction of HMGB4 and platinated DNA, as well as its possible role in promoting cisplatin chemotherapy of testicular germ cell tumors, will be described in Chapter 4. 107 3.5. Conclusion In this investigation the influence of a change in the Cys/Cys-Cys redox state on the interaction of the main DNA-binding element of HMGB1 and cisplatin-modified DNA was evaluated by EMSA and DNA footprinting analyses. HMGB1 domain A exhibits notably strong, nanomolar binding affinity for a 1,2-intrastrand d(GpG) cisplatin cross-linked DNA probe. Intramolecular disulfide bond formation between Cys22 and Cys44 decreases the binding affinity by an order of magnitude. This decrease in the binding affinity was proved to arise exclusively from disulfide bond formation. The dissociation constant of domain A variants having one or both of the cysteines replaced by alanine or serine was unaffected by the external redox environment. Compared to the reduced, wild type domain A, the binding affinities of the variants decreased, presumably through disruption of hydrophobic interactions between two helices I and II involved in DNA binding. Hydroxyl radical footprinting patterns of platinated probes bound to domain A under different redox conditions reveal that its overall positioning on the platinated duplex does not change significantly with redox state. Given the results of these binding studies and the structural properties of the domain A/platinated DNA complex, restriction of the relative alignment of helices I and II caused by disulfide bond formation appears to be the major factor affecting the binding affinity. 108 3.6. References (1) (2) (3) (4) (5) (6) (7) (8) (9) (10) (11) (12) (13) (14) (15) (16) (17) (18) (19) (20) (21) (22) (23) (24) (25) (26) (27) (28) (29) (30) (31) (32) Jamieson, E. R.; Lippard, S. J. Chem. Rev. 1999, 99, 2467-2498. Bosl, G. J.; Motzer, R. J. N. Engl.J. Med. 1997, 337, 242-253. Cohen, G. L.; Ledner, J. A.; Bauer, W. R.; Ushay, H. M.; Caravana, C.; Lippard, S. J. J. Am. Chem. Soc. 1980, 102, 2487-2488. Davies, M. S.; Berners-Price, S. J.; Hambley, T. W. J. Inorg. Biochem. 2000, 79, 167-172. Shimizu, M.; Rosenberg, B. J. Antibiot. 1973, 26, 243-245. Harder, H. C.; Smith, R. G.; Leroy, A. F. Cancer Res. 1976, 36, 3821-3829. Corda, Y.; Job, C.; Anin, M. F.; Leng, M.; Job, D. Biochemistry 1993, 32, 8582-8588. Mello, J. A.; Lippard, S. J.; Essigmann, J. M. Biochemistry 1995, 34, 14783-14791. Mymryk, J. S.; Zaniewski, E.; Archer, T. K. Proc. NatL. Acad. Sci. U. S. A. 1995, 92, 2076-2080. Siddik, Z. H. Oncogene 2003, 22, 7265-7279. Dempke, W.; Voigt, W.; Grothey, A.; Hill, B. T.; Schmoll, H. J. Anti-Cancer Drugs 2000, 11, 225-236. Richon, V. M.; Schulte, N.; Eastman, A. CancerRes. 1987, 47, 2056-2061. Lai, G. M.; Ozols, R. F.; Young, R. C.; Hamilton, T. C. J. Natl. Cancer Inst. 1989, 81, 535-539. Wong, E.; Giandomenico, C. M. Chem. Rev. 1999, 99, 2451-2466. Shlebak, A. A.; Clark, P. I.; Green, J. A. Cancer Chemother. Pharmacol.1995, 35, 349351. Giese, K.; Cox, J.; Grosschedl, R. Cell 1992, 69, 185-195. Thomas, J. 0.; Travers, A. A. Trends Biochem. Sci. 2001, 26, 167-174. Bianchi, M. E.; Beltrame, M.; Paonessa, G. Science 1989, 243, 1056-1059. Thomas, J. 0. Biochem. Soc. Trans. 2001, 29, 395-401. Pil, P. M.; Lippard, S. J. Science 1992, 256, 234-237. Fichtinger-Schepman, A. M. J.; van der Veer, J. L.; den Hartog, J. H. J.; Lohman, P. H. M.; Reedijk, J. Biochemistry 1985, 24, 707-713. Eastman, A. Pharmacol.Ther. 1987, 34, 155-166. Kasparkova, J.; Delalande, 0.; Stros, M.; Elizondo-Riojas, M. A.; Vojtiskova, M.; Kozelka, J.; Brabec, V. Biochemistry 2003, 42, 1234-1244. Jung, Y.; Lippard, S. J. Biochemistry 2003, 42, 2664-2671. Ohndorf, U. M.; Rould, M. A.; He, Q.; Pabo, C. 0.; Lippard, S. J. Nature 1999, 399, 708712. He, Q.; Liang, C. H.; Lippard, S. J. Proc.Natl. Acad. Sci. U. S. A. 2000, 97, 5768-5772. Zamble, D. B.; Mikata, Y.; Eng, C. H.; Sandman, K. E.; Lippard, S. J. J. Inorg.Biochem. 2002, 91, 451-462. Brown, S. J.; Kellett, P. J.; Lippard, S. J. Science 1993, 261, 603-605. Huang, J. C.; Zamble, D. B.; Reardon, J. T.; Lippard, S. J.; Sancar, A. Proc. Natl. Acad. Sci. U. S. A. 1994, 91, 10394-10398. Ugrinova, I.; Zlateva, S.; Pashev, I. G.; Pasheva, E. A. Int. J. Biochem. Cell Biol. 2009, 41, 1556-1562. Zamble, D. B.; Mu, D.; Reardon, J. T.; Sancar, A.; Lippard, S. J. Biochemistry 1996, 35, 10004-10013. Wei, M.; Burenkova, 0.; Lippard, S. J. J. Biol. Chem. 2003, 278, 1769-1773. 109 (33) Hoppe, G.; Talcott, K. E.; Bhattacharya, S. K.; Crabb, J. W.; Sears, J. E. Exp. Cell Res. (34) 2006, 312, 3526-3538. Sheflin, L. G.; Fucile, N. W.; Spaulding, S. W. Biochemistry 1993, 32, 3238-3248. (35) (36) Urbonaviciute, V.; Meister, S.; Ffrnrohr, B. G.; Frey, B.; G ckel, E.; Schett, G.; Herrmann, M.; Voll, R. E. Autoimmunity 2009, 42, 305-307. Billings, P. C.; Davis, R. J.; Engelsberg, B. N.; Skov, K. A.; Hughes, E. N. Biochem. Biophys. Res. Commun. 1992, 188, 1286-1294. (37) Sahu, D.; Debnath, P.; Takayama, Y.; Iwahara, J. FEBS Lett. 2008, 582, 3973-3978. (38) (39) Stros, M. Biochim. Biophys. Acta 2010, 1799, 101-113. Bianchi, M. E.; Manfredi, A. A. Immunol. Rev. 2007, 220, 35-46. (40) (41) (42) (43) He, Q.; Ohndorf, U. M.; Lippard, S. J. Biochemistry 2000, 39, 14426-14435. Murphy, F. V. t.; Sweet, R. M.; Churchill, M. E. EMBOJ. 1999, 18, 6610-6618. Jaiswal, R.; Panda, D. ProteinSci. 2008, 17, 846-854. Schuman, B.; Persson, M.; Landry, R. C.; Polakowski, R.; Weadge, J. T.; Seto, N. 0. L.; Borisova, S. N.; Palcic, M. M.; Evans, S. V. J. Mol. Biol. 2010, 402, 399-411. (44) Tammam, S. D.; Rochet, J. C.; Fraser, M. E. Biochemistry 2007, 46, 10852-10863. (45) Hardman, C. H.; Broadhurst, R. W.; Raine, A. R. C.; Grasser, K. D.; Thomas, J. 0.; Laue, (46) (47) (48) (49) E. D. Biochemistry 1995, 34, 16596-16607. Dunham, S. U.; Lippard, S. J. Biochemistry 1997, 36, 11428-11436. Hogg, P. J. Trends Biochem. Sci. 2003, 28, 210-214. Maret, W. Proc.NatL. Acad. Sci. U. S. A. 1994, 91, 237-24 1. Schafer, F. Q.; Buettner, G. R. FreeRadic. Biol. Med. 2001, 30, 1191-1212. 110 Chapter 4. HMGB4, a Potential Enhancer of Cisplatin in Testicular Germ Cell Tumors 111 4.1. Introduction The introduction of cisplatin in the 1970's brought dramatic changes to cancer chemotherapy.1 The most revolutionary change was for treatment of testicular germ cell tumors (TGCTs). The 5-year survival rate of TGCT patients increased from 72% in 1970-1973 to 91% in 1983-1985 after the introduction of cisplatin. 2 Today, the cure rate of testicular cancer is nearly 100% if discovered at an early stage. 3 Even in highly metastatic stage 3 of TGCT, the 5year survival rate is about 74%, compared to less than 30% for most other metastatic cancers. 3 The origin of the hypersensitivity of TGCT to cisplatin is not fully understood. Previous attempts to understand this phenomenon have focused on proteins that are uniquely expressed in TGCT and therefore may give rise to this hypersensitivity to cisplatin. HMGB proteins recognize and bind to cisplatin-damaged DNA.' In the mouse, the expression profile of HMGB2 depends on age and type of tissue. For example, HMGB2 is highly expressed in mouse embryos, but significantly decreases in adult mice, where a high expression level is maintained only in the lymphoid organs and testes. 6 The dramatic increase of HMGB2 expression during the differentiation of testis germ cells 7 '8 implicates it as a possible reason for cisplatin hypersensitivity in testis cells. This hypothesis is supported by a study using a human non-small cell lung cancer cell line that showed a significant increase in cisplatin sensitivity when the HMGB2 expression level was artificially enhanced by transfection of an HMGB2 expression vector.9 It is noteworthy, however, that the expression levels of HMGB2 are high in many human tumors compared to non-cancerous cells,10'11 and therefore it is uncertain whether HMGB2 plays a unique role in TGCT. Moreover, the prevalence of the closely related DNAdamage binding protein, HMGB 1, further calls into question the possibility that HMGB2 induces cisplatin hypersensitivity in TGCT. 112 Recently, HMGB4 was discovered as a new member of mammalian HMGB protein family.12 HMGB4 is preferentially expressed in the testis as revealed by profiling mouse HMGB4. It is of considerable interest that this new HMGB protein is expressed only in tissues that are hypersensitive to cisplatin. Although there is currently no structural information available for HMGB4, its amino acid sequence offers several clues about its likely binding interaction to platinated DNA (Figure 4.1.A). Most notably, HMGB4 lacks the long, acidic Cterminal tail present in HMGB1-3, homologous proteins of HMGB4, which significantly weakens the DNA-binding affinity of HMG box domains (Figure 4.1 .B).13 Given this distinctive structural characteristic, we anticipated that HMGB4 would bind with greater affinity to cisplatin-modified DNA, which in turn might enhance its repair shielding properties. (A) Heft I 11 EGlaPQDHKGB4a | Helix 2! 31 21 t Henx 3 61 41 0 In 71 * (B) 0 0 165 185 35 39 214 HMGB1domain B HMGB1 domain A HMGBI 181 3587 B HMGB4domain 0 8 HMGBdomain A 165 87 HMGB4doma B Bdoai Figure 4.1. Sequences and structures of DNA binding motifs in HMGB1 and HMGB4. (A) Sequence alignment of the DNA-binding domains of HMGB1 and HMGB4. All domains share the same basic structure consisting of three alpha helices. Residues with brown or light orange background represent identical or homologous amino acids, respectively. Two possible positions for the intercalating residues are marked with red boxes. (B) Schematic representation of HMGB1, HMGB4, and two DNA-binding domains of HMGB4 used in this study. In this chapter, the nature of the binding interaction between HMGB4 and cisplatinmodified DNA as well as the inhibitory function of HMGB4 on repair of the platinated lesion will be described. HMGB4 and its two DNA binding domains were examined using recombinant 113 mouse HMGB4 and a site-specifically platinated DNA probe carrying different platinum-DNA adducts. For these experiments we employed electrophoretic mobility shift (EMSAs) and footprinting assays. The repair inhibitory effects were measured in vitro with repair-active cell free extracts (CFEs) in the presence of HMGB4 proteins. The difference between HMGB4 and HMGB 1, the most intensively investigated HMGB protein, are discussed. These in vitro studies strongly suggest an intracellular function of HMGB4 in processing cisplatin-DNA adducts, with consequences for the mechanism of action of the drug including its remarkable ability to cure testicular germ cell cancer. 4.2. Experimental 4.2.1. Cloning and Expression of HMGB4 Proteins cDNAs encoding full-length mouse HMGB4, HMGB4 domain A (HMGB4a), and HMGB4 domain B (HMGB4b) (Figure 4.1.B) were amplified by PCR from pXJ41-HMGB4 plasmid,12 kindly provided by Dr. Irwin Davidson, Institut de Gendtique et de Biologie Moleculaire et Cellulaire, Illkirch, France, with an NdeI and XhoI restriction sites at the 5' and 3' ends, respectively. Amplified genes were digested by these enzymes and inserted into a pET22b(+) vector. For protein purification, HMGB4 genes were cloned with (His) 6 tags at their C-termini. A full-length HMGB4 gene lacking the C-terminal (His) 6 tag was also prepared to evaluate potential influence of (His) 6 tag on the platinated DNA-binding properties of HMGB4. Site-directed mutagenesis was performed according to the Strategene Quick change protocol to create an F37A variant of full-length HMGB4 and HMGB4a. Cloned plasmids were transformed into Rosetta (DE3) cells and grown in LB medium at 100-150 rpm at 37 'C until the OD 60 0 reached 0.8-1.0. After the addition of IPTG to a final concentration of 50 pM, cells were 114 incubated at 25 'C for 12-15 h, then harvested by centrifugation. Proteins were extracted by sonication in lysis buffer (25 mM Tris-HC, pH 7.5, 50 mM NaCl, 1 mM MaCl 2, 10% v/v glycerol). The (His) 6 tag proteins were purified first with a Ni-NTA column (Novagen) and then on a Macro-Prep High S cation exchange column (Bio-Rad). Full-length HMGB4 without a (His) 6 tag was first purified using a Macro-Prep High S column followed by an S75 size exclusion column. Purified proteins were dialyzed against storage buffer (10 mM Tris-HCl, pH 7.5, 50 mM NaCl, 0.1 mM PMSF) and kept at -80 'C until use. Protein concentrations were determined by UV-Vis spectroscopy and the Bradford assay. 4.2.2. Preparation of 25-bp Site-Specifically Platinated DNA Probes A series of 25mer oligonucleotide probes containing a cisplatin 1,2-intrastrand d(GpG), 1,3-intrastrand d(GpTpG) cross-link, or pyriplatin-dG adduct were synthesized and purified as described in Chapter 3. Strands complementary to the platinated oligonucleotides were radiolabeled at their 5' ends with [y- 32P]ATP using PNK (New England Biolabs). Platinummodified oligonucleotides, 25TGGAts-PtA 2 , 25TGTGts-PtA 2 , 25TGTCts-PtPy, and unplatinated 25TGGAts were annealed to their complementary, radiolabeled strands by heating to 90 'C and cooling to 4 'C over 4 h. The annealed products were precipitated with ethanol precipitation, redissolved in dH 20, and stored at -20 'C. 4.2.3. Preparation of a Repair Assay Substrate 115 (A) 63mer 5' -ATCAATATCCACCTGCAGATTCTACCAAAAGTGTATTTGGAAACTGCTCCATCAAAAGGCATG-3' 14ezr 5' -TTCACCGGAATTCC-3' 69uer 5'-CCTCAACATCGGAAAACTACCTCGTCAAAGGTTTATGTGAAAACCATCTTAGACGTCCACCTATAACTA-3' 86mer 5'-ATGTTGAGGGGAATTCCGGTGAACATGCCTTTTGATGGAGCAGTTTCCAAATACACTTTTGGTAGAATCTGCA GGTGGATATTGAT-3' 60mer 5' -TAGTTATAGGTGGACGTCTAAGATGGTTTTCACATAAACCTTTGACGAGGTAGTTTTCCG-3' (B) 14mer-Pt * 63mer 69mer i LiUgation 86mer 5' 60mer 5' NER Product * Exicison of damaged site 5' 5 DNA synthesis 5' Figure 4.2. Preparation of in vitro NER substrates. (A) Sequences of oligonucleotides used to prepare a 146-bp repair substrate. (B) Schematic diagram of the synthesis and repair of the linear DNA substrate with a central-1,2-intrastrand cisplatin cross-link. The site-specifically modified and unmodified 146-bp DNA substrates for use in repair assays were prepared as previously described (Figure 4.2).14 The 14mer oligonucleotides with and without a central cisplatin 1,2-d(GpG) cross-link were radiolabeled at their 5' ends with [y32P]ATP. Labeled oligonucleotides were annealed with 2 molar equiv of the remaining, unlabeled oligonucleotides in annealing buffer (50 mM Tris-HCl, pH 7.9, 100 mM NaCl, 10 mM MgCl 2, 1 mM DTT), as described in the previous section. Annealed products were ligated at 16 *C overnight and purified by 8% urea-PAGE. The full-length 146mer substrate was isolated from the gel in extraction buffer (10 mM Tris-HCl, pH 7.5, 50 mM NaCl, 1 mM EDTA), 116 ethanol-precipitated, and re-annealed. The purity of the substrate was confirmed by 8% ureaPAGE and 5% Native-PAGE. 4.2.4. Nucleotide Excision Repair Assay Approximately 10-20 fmols of 146-bp substrate was incubated with the protein of interest in 20 jiL of NER reaction buffer (20 mM HEPES, pH 7.9, 24 mM KCl, 2 mM MgCl 2 , 4 mM ATP, 20 pLM dNTP, and 200 jig BSA) on ice for 30 min and at 30 'C for 10 min. A 5 ptL portion of CHO AA8 CFE solution including 50 jig of protein was added to each sample. The reactions were performed at 30 'C for the indicated time period and then quenched by addition of stop solution, which included 1 pig of proteinase K and SDS at a final concentration of 0.34% w/v; the solution was then incubated at 60 *C for 15 min. DNA in the reaction solution was purified by phenol/chloroform extraction followed by ethanol precipitation. Repair products were separated at 1800 V for 1.5 h in 8%urea-PAGE in 1xTBE, dried at 80 'C for 1-2 h and visualized on a Storm phosphorimager (Amersham Bioscience). 4.2.5. Electrophoretic Mobility Shift Assay The binding affinity of HMGB4 proteins was measured by the electrophoretic mobility shift assay (EMSA) as previously described. 15 Briefly, a radiolabeled 25-bp DNA probe and different amounts of HMGB4 proteins were incubated in 15 jiL of binding buffer (10 mM HEPES, pH 7.5, 10 mM MgCl 2 , 50 mM LiCl, 100 mM NaCl, 0.05% Nonidet P-40, 0.2 mg/mL BSA) containing 50 ng of poly d(GC) as a competitor. The unbound DNA probe and proteinDNA complexes were separated by 10% Native-PAGE for 1.5 h with cooling to about 13 'C in 0.5x TBE at 300 V, dried, and visualized. The apparent dissociation constant, Kd, of each protein was calculated as previously described in Chapter 3. 117 4.2.6. Hydroxyl Radical Footprinting Footprinting analyses were carried out by a previously described method 15 with some modifications. Different amounts of protein were mixed with 10-15 nM of platinated 25TGGA probe for 1 h on ice in 20 pL of 1xEMSA binding buffer containing 100 ng poly d(GC) and 10 gg BSA. After incubation, 5 gL of each sample was analyzed by 10% Native-PAGE to confirm that > 90% of the DNA existed in the form of a DNA-protein complex. The footprinting reaction was initiated by adding 2 gL of 25 mM/50 mM Fe(NH 4)2 (SO4)2/EDTA, 100 mM sodium ascorbate, and 1.5% H20 2. After 3 min at room temperature, the reaction was quenched by adding 10 pL of 1 M thiourea solution. A 5 pL solution of 10% SDS was added to each footprinting sample, which was incubated at 37 'C for 20 min, and then the DNA was extracted by phenol/chloroform and precipitated by ethanol addition. The samples were subsequently airdried, re-dissolved in 8-RL formamide solution containing bromophenol blue, and resolved by 20% urea-PAGE in 1x TBE buffer for 3.5 h at 1800 V. 4.3. Results 4.3.1. Expression and Solubility of HMGB4 Proteins E. coli strain Rosetta (DE3) (Novagen) was used to express the HMGB4 proteins because of the high frequency of rare codons in the HMGB4 cDNA. After purification, HMGB4 proteins were resolved on 4-20% gradient SDS gels and stained with Comassie Blue to confirm the purity. The full-length HMGB4, with or without a His tag, electrophoresed with a mobility corresponding to a molecular weight of around 22 kDa. The two DNA-binding domain HMGB4a and HMGB4b bands were also observed in a region corresponding to 10-11 kDa (Figure 4.3). Full-length HMGB4 without the C-terminal (His)6 tag exhibited slightly faster electrophoretic mobility than the protein with the tag (Figure 4.3, lane 2). HMGB4 proteins are quite soluble in 118 storage solution with low salt concentration. No significant precipitation or turbidity was observed when the protein was concentrated to 100 gM. M 1 2 3 4 5 6 40kWe -+w 30kWe -+o 25kWe -+P 20 kDa .* 10+ Figure 4.3. Purified full-length HMGB4 and its DNA binding domains resolved in 4-20% gradient SDS gels. Full-length mouse HMGB4 (lane 1), human HMGB4 (lane 2), mouse HMGB4 with C-terminal (His)6 tag (lane 3) displayed electrophoretic mobility corresponding to the molecular weight close to 20 kDa on the gel. Mouse HMGB4 without the tag (21.6 kDa) displayed slightly faster mobility than human HMGB4 (22.4 kDa) or mouse HMGB4 with (His) 6 tag (22.4 kDa). F37A (lane 4, 11.4 kDa) and wild type (lane 5, 11.4 kDa) HMGB4a or HMGB4b (lane 6, 10.2 kDa) with (His) 6 tag were observed around the 10 kDa marker band. 4.3.2. Binding of HMGB4 Proteins to Platinated DNA The binding affinities of full-length HMGB4 and its DNA binding domains were investigated by EMSAs. Full-length HMGB4 binds to the 25-bp DNA probes with a strong preference for cisplatin 1,2-intrastrand cross-linked adducts, as revealed by its nanomolar binding affinity (Kd = 4.35 nM). Very little binding occurs at the cisplatin 1,3-intrastrand crosslinked adduct (Kd > 1 VM) (Figure 4.4.A). No binding of HMGB4a to the DNA probe with a pyriplatin monoadduct was observed below protein concentrations of 5 IM (Figure 4.4.B). There is no significant difference in binding affinities for full-length HMGB4 containing a C-terminal (His) 6 tag compared to protein lacking the tag for the 1,2-intrastrand cross-linked DNA (Figure 4.5.A). 119 (A) 1,3-intrastmnd I ,2-intrastrand 1 2 4 3 5 6 7 8 9 10 Unmodified 11 12 13 14 15 Mono-dG 1 2 3 4 5 Figure 4.4. EMSA analysis of HMGB4 and HMGB4a bound to different probes. (A) Binding preference of full-length HMGB4 to 1,2-intrastrand versus 1,3-intrastrand cross-linked DNA as revealed by EMSAs. Variable amounts of fulllength HMGB4 protein were incubated with site-specifically platinated 25TGGA (lane 1-5), 25TGTG (lane 6-10), or unplatinated 25TGGA DNA (lanes 11-15) probes (~1 nM). Protein concentrations in each set were 10 nM (lanes 1, 6, 11), 20 nM (lanes 2, 7, 12), 40 nM (lanes 3, 8, 13), 100 nM (lanes 4, 9, 14), and 200 nM (lanes 5, 10, 15). (B) Binding preference of HMGB4a to pyriplatin monofunctional DNA adducts. Whereas a significant fraction of cisplatin-modified 25TGGA exists as protein-bound form after it was incubated with 5 nM of HMGB4a (lane 1), no complex was observed when pyriplatin-platinated 25TGTC was incubated with 5 nM (lane 2), 50 nM (lane 3), 500 nM (lane 4), and 5 pM (lane 5) of HMGBla. The dissociation constant for the HMGB4a/platinated DNA complex is about twice that of the full-length HMGB4/platinated DNA complex (Table 4.1). Moreover, the binding interaction of HMGB4a does not change in the presence of 1-10 mM DTT (Figure 4.5.B), unlike HMGB 1 domain A, which has a redox-dependent binding affinity owing to the presence of adjacent cysteine residues. 16 One of these residues is absent in HMGB4 proteins (Figure 4.1.A). The binding affinity of HMGB4a is more than 50-fold greater than that of HMGB4b (Figure 4.5.C and Table 4.1). Both DNA binding domains show a specificity for DNA carrying a 1,2- 120 intrastrand d(GpG) cross-link, but not a 1,3-intrastrand cross-link, as is the case for full-length HMGB4. (A) HMGB4+(His)g' 0.8 HMGB4 - 0 0 02 0 1 2 3 4 5 6 7 8 9 10 !ProteinI(nM) 1 (B) No DTT (HMGB4 ox) 5mM DTT (HMGB4a red) C 0 C 0 m -mn. 1 0 0. 2 3 4 5 6 7 8 9 10 11 12 13 14 HMGB4b (C) ProteIn] 1 2 3 4 5 6 7 8 Figure 4.5. Binding preference of full-length HMGB4 and its DNA-binding domains to the cisplatin-modified DNA probe. (A) EMSA analysis of the titration of platinated 25TGGA (1 nM) with full-length HMGB4 with or without a (His) 6 tag at concentrations of 2 nM (lanes 1, 6), 6 nM (lanes 2, 7), 20 nM (lanes 3, 8), 60 nM (lanes 4, 9), and 100 nM (lanes 5, 10) (left) and a plot of the protein-bound DNA fraction versus protein concentration (right). (B) EMSA analysis of HMGB4a bound to the platinated 25TGGA (1 nM) under reducing (5 mM DTT) or non-reducing conditions (left) and a plot of protein-bound DNA fraction versus concentrations of HMGB4a (right). Protein concentrations were 0.6 nM (lanes 1, 8), 2 nM (lanes 2, 9), 6 nM (lanes 3, 10), 10 nM (lanes 4, 11), 20 nM (lanes 5, 12), 60 nM (lanes 6, 13), and 100 nM (lanes 7, 14) (C) EMSA analysis of IMGB4b bound to a cisplatin-modified DNA probe (15 nM). Protein concentrations were 31.25, 62.5, 125, 250, 500, 1000, 2000, and 4000 nM (lanes 1-8). 121 Table 4.1. Dissociation Constants of HMGB Proteins and Their Variants for DNA Probes Containing a Central Cisplatin 1,2-d(GpG) Intrastrand Cross-Linka Protein Kd (nM) Kd(F37A) /Kd(WT) HMGB4 4.35 0.16 - HMGB4 F37A 11.74 0.33 2.7 HMGB4a 7.91 0.63 - HMGB4a F37A >> 20 [tM >2000 HMGB4b 422-32 - HMGBlac 0.7 ±0.1 - HMGB1 AB165b 0.5 ± 0.2 - HMGBlb 120 ±10 - HMGB1 F37Ab 210± 15 1.75 are an average of at least three independent experiments. aValues bRef 15 cRef 16 4.3.3. Binding Affinities of Wild Type HMGB4 and its F37A Variant To investigate the importance of Phe37 in modulating the interaction of cisplatinmodified DNA with full-length HMGB4 or HMGB4a, F37A variants were produced by sitedirected mutagenesis. HMGB4a had significantly lower binding affinity for platinated DNA when Phe37 was replaced by alanine (Figure 4.6.A); no protein/platinated DNA complex was observed up to concentrations of 20 pM, indicating that the binding affinity of this variant is > 2000-fold less than that of wild type HMGB4a. On the other hand, the dissociation constant of the F37A variant of full-length HMGB4 is only 2.7-fold greater than that of wild type protein (Figure 4.6.B). 122 F37A HMGB4a WId type HMGB4a (A) 1 2 3 (B) 4 5 8 7 6 9 10 Wild Type HMGB4 1 2 3 4 5 6 11 12 13 14 15 F37A vadant 7 8 9 10 11 12 13 14 Figure 4.6. EMSA analysis of HMGB4 proteins and their F37A variants binding to platinated DNA. (A) Wild type HMGB4a and its F37A variant bound to the cisplatin- 1,2-d(GpG) intrastrand cross-linked DNA probe (1 nM). Protein concentrations were 2 nM (lanes 1, 8), 6 nM (lanes 2, 9), 20 nM (lanes 3, 10), 60 nM (lanes 4, 11), 200 nM (lanes 5, 12), 600 nM (lanes 6, 13), 2 pM (lanes 7, 14), and 6 pM (lane 15, F37A variant only). (B) Wild type and F37A variant of the fulllength HMGB4 bound to the cisplatin 1,2-d(GpG) intrastrand cross-linked DNA probe (1 nM). Protein concentrations were 1 nM (lanes 1, 8), 2 nM (lanes 2, 9), 6 nM (lanes 3, 10), 10 nM (lanes 4, 11), 20 nM (lanes 5, 12), 60 nM (lanes 6, 13), and 100 nM (lanes 7, 14). 4.3.4. Weak Asymmetry of HMGB4 Binding to a 1,2-Intrastrand Cross-Link Wild type full-length HMGB4 and HMGB4a share very similar footprinting patterns, which are marked by very weak asymmetry with respect to the site of the platinum cross-link (Figure 4.7). A comparison between domain A of HMGB1 and that of HMGB4 reveals a difference of intensities for DNA cleaved at 1-2 bps upstream from the cisplatin-d(GpG) lesion (Figure 4.7). The footprinting results for HMGB4a (Figure 4.7) and full-length HMGB4 (Figure 4.8) are rather similar to those of the HMGB I domain B 15 . Moreover, even though most of the DNA exists as a DNA-protein complex in EMSA analyses carried out simultaneously with the footprinting study, binding of HMGB 1 domain A blocks the cleavage at platinated lesions much better than HMGB4 domain A. The hydroxyl radical cleavage pattern of HMGB4b is quite close 123 to that of HMGB4a, with slightly better footprinting upstream of the platinated lesion. The footprinting patterns of wild type HMGB4 and its F37A variant under the same conditions are almost identical (Figure 4.8) HMGBI HMGB4 HMGB4 (A) DomainA DomainB u ... a|i - uu - No Protein (Control) - HMGB1 domain A (600 nM) 1L23 56A 1 A - HMGB4 domain A (16 M) Counts - HMGB4 domain 8 (16 pM) 21ese 410be 45M T C T *oo 41 A T C mo - M T e Wss - agom nM -a mosn - --- C G -- AT owlow T 500 ss -- 0 _ , , _ 5W S- domain B(16 pM) -HMGB4 C 1000 T C HMGB4 domain A (1 pM) - t4 T . . .' 10 ixel , Figure 4.7. Footprinting analysis of DNA-binding domains of HMGB1 and HMGB4 bound to the cisplatin-modified DNA probe. (A) A 15 nM amount of platinated 25TGGA DNA was cleaved by hydroxyl radical footprinting reagents after incubation with no protein (lane 1) or in the presence of 600 nM (lane 2) or 1 ptM (lane 3) HMGB1 domain A, 1 pM (lane 4) or 2 pM (lane 5) HMGB4 domain A, 16 pM (lane 6) or 32 pM (lane 7) HMGB4 domain B on ice for 30 min. Footprinting products were separated using 20% urea-PAGE. (B) Plot of the intensity of the cleaved DNA bands from the footprinting experiment in A: lane 1 (black), lane 2 (green), lane 4 (blue), and lane 6 (red). The cleaved bands upstream of the cisplatin-modified guanines in the lane containing HMGB4 domains A and B are weaker in intensity compared to those from HMGB1 domain A. (C) Plot of intensity of cleaved DNA corresponding to lanes 4 and 6 in A. The footprinting patterns of HMGB4 domain A and domain B are similar to each other, except that domain A displays weaker footprinting at the cytosine base located 2-bp upstream from the platinated guanines. 124 1 (A) 2 3 4 (B) Counts T C T "M- A T Uvw (C) C Counts T T - T C T m qu ess HMGB4 Wild Type (1 pM) - HMGB4 F37A (1 pM) . C - TGGAT C T Figure 4.8. Footprinting analysis of HMGB1 domain A and full-length HMGB4 proteins bound to a cisplatin-modified DNA probe. (A) A 15 nM solution of platinated 25TGGA DNA was cleaved by hydroxyl radicals after incubation without any protein (lane 1) or in the presence of 600 nM HMGB1 domain A (lane 2), 1 piM wild type HMGB4 (lane 3), 1 PM F37A HMGB4 (lane 4). (B) Plot of the intensity of each cleaved DNA band from the footprinting experiment shown in A: lane 1 (black), lane 2 (green), lane 3 (blue), and lane 4 (red). (C) Plot of the intensity of each cleaved DNA band from the footprinting reaction in the presence of wild type HMGB4 (blue) or F37A HMGB4 (red). The cleavage patterns of wild type and F37A full-length HMGB4 proteins are almost identical, which indicates much weaker asymmetric binding compared to HMGB1 domain A. 4.3.5. Repair Inhibitory Capacity of HMGB4 Proteins To investigate the influence of HMGB4 proteins on the repair of cisplatin damaged DNA, the repair of a 146-bp linear DNA substrate with a radiolabel close to the platinated lesion was studied in the presence of HMGB proteins. After 1.5 h of incubation under standard conditions, described in Experimental, 20-30mer strands having 4-6% of full-length DNA substrate were observed by autoradiography (Figure 4.9, lane 3). There were no such short strands generated 125 when 5 gL of reaction buffer was added instead of CFE (Figure 4.9, lane 2) or when a nonplatinated 146-bp probe was used (Figure 4.9, lane 1). This result indicates that the short strands are products of the repair of the platinated lesion. M 1 2 3 200 150 100 25 Figure 4.9. Nucleotide excision repair products resolved on a 8% urea-PAGE gel. 146-bp DNA substrates were incubated for 1.5 h at 30 *C, quenched by addition of stop solution, and resolved for 1.5 h at 1800 V. Incubation of an unplatinated 146-bp DNA probe with CFE (lane 1) and platinated 146-bp DNA probe without CFE (lane 2) showed no excision products, whereas incubation of the platinated 146-bp DNA probe with CFE (lane 3) produced short excision products. The abilities of full-length HMGB1 and HMGB4 to block repair of a DNA substrate bearing a cisplatin 1,2-intrastrand d(GpG) cross-link are presented in Figure 4.10. At 1 pM concentration, HMGB1 reduces repair by 45% compared to control, whereas HMGB4 at the same concentration inhibits repair by > 90% (Table 4.2). In the presence of 125 nM HMGB4, repair is inhibited by 70%, whereas no significant decrease in the repair occurs in the presence of HMGB1 at the same concentration. When the incubation time was extended to 3 h, the amount of repair products increased to ~8%, with a notable increase in repair products shorter that 25 bases, presumably resulting from non-specific nuclease digestion of primary repair products 126 (Figure 4.1 O.B). The relative excision in the presence of HMGB proteins normalized by the excision level in the absence of the proteins does not change appreciably upon extension of the reaction time (Figure 4.1 O.C). HMGB4a also inhibits repair as efficiently as full-length HMGB 1. There is no significant repair inhibition observed in the presence of the F37A variant of HMGB4a (Figure 4.11). (A) 1 HMGB4 2 3 4 5 6 7 (B) HMGBI 8 1 h Incubation 3 h Incubation 9 10 11 12 13 14 15 16 (C) 125 -+-HMGB4 3h HMGB1 3h -+-HMGB4 1h-4HMGB1 1h 100 5 25 0 0 2 4 6 8 [Protein] (pM) Figure 4.10. Excision of a cisplatin-1,2-intrastrand d(GpG) cross-link by active repair extracts in the presence of HMGB1 or HMGB4. (A) Platinated or unplatinated 146-bp repair substrates were incubated in the presence of added HMGB1 or HMGB4 at 30 *C. The samples were collected after 1 h or 3 h. The repair products were resolved by 8% urea-PAGE. In control experiments, no excision products were observed when an unplatinated probe was incubated with repair active CFE (lane 1). Concentrations of HMGB proteins were increased, from 125 nM (lane 3 and lane 10) to 8 pM (lane 9 and lane 16). (B) The excision products from a platinated repair substrate from 1 h (left) or 3 h (right) incubation. Extended incubation periods caused a noticeable increase of minor, lower molecular weight, products, that might be the consequence of exonucleolytic degradation of primary repair products. (C) Plot of the fraction of repaired substrate versus amount of added HMGB1 or HMGB4 protein after 1 h and 3 h incubation. The amounts of repair products are normalized to the fraction of repair product in a reaction lacking any HMGB protein (lane 2 of A). Longer incubation times increased the total amounts of repair products, but the concentration-dependent repair inhibition ability of HMGB proteins was not influenced by extending the incubation time. 127 (A) F37A HMGB4a Wild type HMGB4a " - a V a a 4t 4 - (B) -+-Wild type HMGB4a 120 0 4 100 0 80 60 40 20 0 0 ,- --- 1 2 3 4 5 6 7 8 [Protein] (pM) Figure 4.11. Effect of HMGB4 domain A on excision of a cisplatin 1,2-intrastrand d(GpG) cross-link. (A) Repair inhibitory effects of wild type HMGB4a and F37A HMGB4a. An unplatinated 146-bp substrate (lane 1) or platinated 146bp substrate (lanes 2-14) was incubated with CFE in the presence of HMGB4a proteins for 1.5 h at 30 *C and the NER products were analyzed on 8% urea-PAGE gel. Concentrations of protein were 0 pM (lanes 2), 0.25 ptM (lanes 3 and lane 9), 0.5 ptM (lanes 4 and lane 10), 1 ptM (lanes 5, and lane 11), 2 pM (lanes 6 and lane 12), 4 ptM (lanes 7 and lane 13), and 8 ptM (lanes 8 and lane 14). (B) Plot of the relative amount of repair product normalized to the fraction of repair product in a reaction lacking any HMGB protein (lane 2 of A) versus concentration of added HMGB4a proteins. Wild type HMGB4 shows significant repair inhibition, whereas no significant decrease of repair products was observed when F37A HMGB4a was added to the reaction. Table 4.2. Fraction of Repair Product of a Cisplatin-1,2-Intrastrand d(GpG) Cross-Linked DNA in the Presence of Different Concentrations of HMGB Proteinsa [Protein] HMGB1 HMGB4 HMGB4a 125 nM N/Ab 69% N/Ab 1 RM 45% 92% 56% 8 9M 86% >95% 86% aValues are an average of at least two independent experiments. "No significant decrease of repair products were observed. 128 4.4. Discussion 4.4.1. Natural Functions of Testis-Specific HMGB Proteins and Their Interaction with Cisplatin-Modified DNA Since the discovery that HMGB proteins bind to cisplatin-damaged DNA, 4 5' several in vivo and in vitro studies have been carried out in an attempt to correlate the expression level of HMGB proteins with cisplatin cytotoxicity. 9,17,18 Members of the HMGB protein family that exhibit high or selective expression in the testis are of particular interest. Murine tsHMG was the focus of several investigations as a member of HMGB proteins that may contribute to the hypersensitivity of TGCT to cisplatin. Murine tsHMG is the nuclear isoform of a mitochondrial transcription factor A (mtTFA), which is expressed only in testis.1 9 This protein has a stronger binding affinity and greater in vitro repair inhibition of cisplatin-modified DNA than HMGB.2 0 Additionally, overexpression of tsHMG in HeLa cells significantly increased cisplatin sensitivity. Despite the fact that the corresponding nuclear isoform of the human mtTFA is not expressed in human testis, and therefore cannot be correlated with the hypersensitivity of human testicular cancer to cisplatin, 22 studies of tsHMG demonstrated that HMGB proteins with higher binding preferences for platinated DNA are able to increase the sensitivity of tumor cells to cisplatin. In 2008, the 4th member of mammalian canonical HMGB proteins, called HMGB4, was identified. 12 Expression profiling of mouse HMGB4 revealed that HMGB4 is expressed preferentially in the testis, where it is proposed to participate in the mechanism of spermatogenesis, similar to HMGB2, which helps differentiation of mouse germ cells. HMGB 1, 2, and 3 have very similar amino acid sequences, with >70% sequence similarity. The sequence of HMGB4 resembles these, but several regions differ significantly. The most notable difference 129 is lack of the C-terminal acidic tail. As a result, HMGB4 has a net positive charge under physiological conditions (+18.8 at pH 7.5), whereas HMGB 1 is negatively charged (- 5.4 at pH. 7.5). 4.4.2. Information about the Sequence of HMGB4 Relevant to its Binding Interaction with Cisplatin-Modified DNA There are several aspects of the HMGB4 sequence that might promote protein binding to cisplatin-modified DNA. The highly negatively charged C-terminal tail of HMGB proteins functions to regulate the interaction between HMG boxes and DNA by electrostatically interacting with their positively charged amino acids, competitively with negatively charged DNA. The HMGB 1 didomain AB, which lacks the tail, and domain A of HMGB 1 both have a much higher binding affinity for platinated DNA than full-length HMGB1. 15 The binding affinity of HMGB4, which is deficient in the C-terminal acidic tail, more closely resembles that of the HMGB1 didomain AB than that of the full-length protein. Apart from the absence of the C-terminal tail, there are relatively large variations in the amino acids of the DNA-binding domains for HMGB4 compared with other HMGB proteins. Sequence alignment analysis of HMGB4 and HMGB 1 (Figure 4.1 .A) reveals that many amino acid residues that interact directly with the DNA backbone in the X-ray crystal structure of a complex between platinated DNA and HMGB1 domain A (Figure 4.12)24 are conserved in HMGB4 domain A. Notably, the intercalating residue Phe37, which plays a significant role in the binding of HMGB1 to platinated DNA, 24,25 is conserved in HMGB4, whereas the position corresponding to Ala16 in HMGB1-3 is occupied by Ile16. Two putative intercalating residues in domain B, Phe102 and Ile 121, are replaced by Leul 00 and Val 119 in HMGB4, which implies that the binding nature of HMGB4 domain B might differ significantly from that of HMGB 1 domain B. The most 130 remarkable sequence difference is the replacement of cysteine at position 22 in HMGB 1 with a phenylalanine in rat and mouse HMGB4 or a tyrosine in human HMGB4. Cys22 in other HMGB proteins can form an intradomain disulfide bond with Cys44 under mildly oxidizing conditions.26 Previous redox studies of HMGB 1 and its domain A demonstrated that the binding affinity of the protein decreases significantly upon formation of the disulfide bond, suggesting that the interaction between DNA and HMGBI is regulated by the intracellular redox environment. 16 HMGB4 cannot form an intradomain disulfide bond, and hence the DNA-binding capacity of HMGB4 is redox-independent, unlike the other three HMGB proteins. L: A Figure 4.12. X-ray crystal structure of the complex of the HMGB1 domain A and a 16-bp DNA probe containing a cisplatin 1,2-intrastrand cross-link (pdb accession number 1CKD). The r-r stacking and edge-to-face aromatic interactions between the side chain of Phe37 and the two platinated guanine rings are designated by double-headed arrows. 4.4.3. Binding Affinity and Binding Specificity of HMGB4 to Platinated DNA 131 The overall platinated DNA-binding properties of mouse HMGB4 are quite similar to those of HMGB1. HMGB4 binds specifically to a DNA probe with a cisplatin 1,2-intrastrand d(GpG) cross-link. This binding preference was not observed when a probe containing a cisplatin 1,3-intrastrand d(GpTpG) cross-link was used, similar to that of HMGB l. The binding affinity of full-length HMGB4 is about 9-fold weaker than that of HMGB 1 didomain AB, but about 28fold stronger than that of full-length HMGB 1, a result that is consistent with the prediction based on the lack of a C-terminal acidic tail. Unlike HMGB1, however, the binding of HMGB4a or full-length HMGB4 is redox-independent because it cannot form an intradomain disulfide bond. Not only the full-length protein, but also each DNA binding motif, binds more weakly to platinated DNA than its HMGB 1 counterpart. These differences may be the result of differences in the amino acid residues of the DNA binding motifs in HMGB 1 versus HMGB4. The two putative intercalating residues of HMGB 1 domain B are different, whereas the Phe37 in domain A is conserved in HMGB4 from all species. The importance and putative roles of the intercalating residues are discussed below. Even though the absolute values of dissociation constants differ for the DNA-binding domains of HMGB 1 and HMGB4, the relative ratios of the binding affinities of HMG domains of HMGB4 are similar to those of HMGB 1 (Table 4.1). As for HMGB 1, domain A of HMGB4 is the main DNA-binding domain because its binding affinity is much greater than that of domain B. Full-length HMGB4 displays about 2-fold higher binding affinity than HMGB4a, and is similar to that of HMGB 1; similarly, HMGB 1 didomain AB exhibits about twice the binding affinity of HMGB 1 domain A. Presumably, as in the binding of HMGB 1, HMGB4 domain B increases DNA bending and facilitates binding of fulllength HMGB4 instead of interacting directly with the platinum cross-links, whereas domain A binds directly to the Pt binding site. 132 4.4.4. Function of Intercalating Residues and Their Influence on the Structure of the Platinated DNA-Protein Complex Unlike results obtained with most other HMG box proteins, hydroxyl radical footprinting analyses of full-length HMGB1 or its domain A with DNA bearing a cisplatin 1,2-intrastrand d(GpG) cross-link reveal highly asymmetric binding with respect to the site of platination. The X-ray crystal structure of the complex revealed this asymmetry to be the consequence of insertion of the side chain of Phe37 from domain A into the hydrophobic notch in the minor groove formed by the two platinum-modified guanosine residues (Figure 4.12) in the proteinDNA complex. A combination of iu-7c stacking and edge-to-face aromatic interactions between the phenyl ring side chain and the two guanine bases significantly stabilizes the complex. As a result, helix II of HMGB1 domain A, with Phe37 at its N-terminus, binds mainly to the 3' side of the platinum lesion, causing the binding asymmetry. There is one more amino acid position in HMGB1 domain A that is capable of intercalating into the platinated DNA, Alal6 in helix I. Removal of Phe37 and mutating Ala16 to Phel6 completely altered the binding mode from asymmetric to symmetric with respect to the cisplatin binding site.2 The binding of HMGB1 domain B produces a symmetric footprint because the main intercalating residue in this protein, Phel02, is at the site corresponding Alal6 of domain A and mainly interacts with the cisplatinDNA cross-link. Replacement of Phe102 with Alal02 alters the binding of domain B to an asymmetrical one, probably through the induction of a weak interaction between the modified guanine and Ile121, the residue at the position corresponding to Phe37 in domain A.25 The intercalating residue Phe37 is conserved in domain A of HMGB4. Replacement of Phe37 with Ala37 decreases the binding affinity of domain A to the platinated DNA by more than a factor of 2000, demonstrating its critical role in stabilizing the interaction. The 133 footprinting analysis, however, surprisingly revealed very weak asymmetry compared to that of HMGB1 domain A, even close to the symmetric footprinting pattern of HMGB1 domain B (Figure 4.7). This footprinting pattern, and the fact that the binding affinity of wild type HMGB4 domain A is weaker than that of HMGB 1 domain A by more than a factor of 10 (Table 4.1), clearly reveal that some of HMGB1 residues interacting with platinated DNA backbone are missing in HMGB4. The differences lie more toward the N- than the C-terminal side of Phe37 (Figure 4.1.A) and must in some manner override the influence of the inserting phenylalanine side chain on the binding symmetry. Another possible intercalation position, corresponding to Alal 6 in HMGB 1, is a valine in human HMGB4 or isoleucine in mouse HMGB4. The side chain of alanine is too short to intercalate into DNA, but a weak hydrophobic contact between Alal 6 and one of the bases in the unmodified strand was observed in the crystal structure of HMGB 1 domain A bound to cisplatinmodified DNA. The side chain of isoleucine or valine is presumably long enough to reach and insert at least partially between the base pairs, providing a second intercalation on the unmodified strand. Compared to full-length HMGB4 or HMGB4a, HMGB4b displays a very low binding affinity for platinated DNA. In HMGB4b, LeulOO is at the position corresponding to intercalating residue Phe102 of HMGB1 domain B and Ala16 in HMGB1 domain A (Figure 4.1 .A). Another possible intercalating residue, corresponding to Phe37 of HMGB4 domain A and Ile 121 of HMGB 1 domain B, is Val 119. The footprinting pattern of HMGB4b is quite similar to that previously reported for HMGB1 domain B, in which Phe102 mainly plays a role as an intercalating residue.2 s This result suggests Leul 00, rather than Val 119, may function as an intercalating residue in HMGB4b when binding to platinated-DNA. 134 4.4.5. Repair Inhibition by HMGB Proteins One hypothesis for HMGB1 participation in the mechanism of the action of cisplatin is repair shielding.2 7 According to this model, binding of HMGB 1 to the platinated lesion inhibits damage repair either by preventing its recognition by cellular proteins or by disrupting formation of the repair apparatus, thereby increasing the efficacy of the drug. One of the strongest pieces of evidence in support of this model is the in vitro repair study that reveals a dramatic loss in repair of cisplatin 1,2-intrastrand d(GpG) cross-links in the presence of increasing and excess amounts of HMG proteins.20,27,28 Addition of HMGB4 to a repair reaction similarly decreases the level of repair of the cisplatin-1,2-intrastrand cross-link. Impressively, the inhibition efficiency of HMGB4 is much greater than that of HMGBl; only 62.5 nM of HMGB4 is sufficient to decrease repair by > 50%, whereas 16 times more HMGB 1 had to be added to reach a similar degree of repair inhibition. This repair shielding is even greater than that reported for tsHMG, a mouse testis-specific protein, which has a very high repair inhibitory efficiency.20 The F37A variant of HMGB4a does not show any repair inhibition because it cannot bind to platinated lesions. The repair inhibition efficiency of HMGB4a, which is smaller than full-length HMGB1 but has a higher binding affinity, is similar to that of HMGB 1, which suggests that the repair inhibition by HMGB proteins can be influenced by both their size and binding affinity. 4.4.6. HMGB4, Cisplatin, and Testicular Cancer It is well known that testicular germ cell tumors (TGCTs) are hypersensitive to cisplatin chemotherapy. Molecular biology studies of cisplatin demonstrate rapid induction of apoptosis in TGCT after exposure to cisplatin, in agreement with clinical studies. 3,29 There are several hypotheses to explain the hypersensitivity of TGCT, such as the low expression level of certain 30p31 proteins that are indispensible for detecting or repairing DNA damages in testis tissue. 135 We propose that HMGB4 may be one of the factors responsible for the high cisplatin efficacy against testicular cancer. The in vitro studies carried out in this work reveal that HMGB4, preferentially expressed in testis, not only interacts with cisplatin cross-linked DNA with much higher binding affinity than HMGB1, but also inhibits excision repair to a significantly greater degree. Moreover, its inability to form intradomain disulfide bonds removes the possible diminution of binding affinity for platinated DNA under oxidizing conditions. Whether or not HMGB4 participates in the cisplatin mechanism in vivo, as well as we have observed in vitro, and is responsible for the efficacy of cisplatin in treating testicular cancer remains to be determined. 4.5. Conclusion This work describes the nature of the binding interaction between the testis-specific protein HMGB4 and cisplatin-modified DNA. Despite differences in the amino acid sequence, the binding properties of HMGB4 are quite similar to those of the more widely distributed homologue HMGBl. In particular, HMGB4: (i) binds to the 1,2-intrastrand cross-linked DNA with high preference; (ii) Interacts mainly through its HMG domain A; and (iii) Binds more weakly when Phe37 is mutated to alanine, with the domain A exhibiting dramatically reduced binding affinity for platinated DNA. The binding affinities of HMGB4 and its DNA-binding domains to platinated DNA are less than those of their HMGB 1 counterparts. The binding mode of HMGB4, unlike that of HMGB1, is very weakly asymmetric with respect to the platinated cross-link. In vitro assays reveal that HMGB4 can inhibit excision repair of platinated lesions much more efficiently than HMGBl. These results are consistent with our hypothesis that HMGB4 may function in the mechanism of action of cisplatin like HMGB1, but much more 136 effectively. Because HMGB4 is expressed preferentially in testis, it may be an important factor contributing to the hypersensitivity of TCGTs to cisplatin. 137 4.6. 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Two different human cancer cell lines, HeLa and A549, respond differently to cisplatin following HMGB 1 knockdown by shRNA. Moreover, the repair of platinated DNA in both knockdown cells was slower than that in parental cell lines, which does not support the expectation from the repair-shielding model. HMGB 1 interacts with many proteins involved in cisplatin-triggered apoptosis. We hypothesize that HMGB 1 can promote the repair of platinated DNA via those interactions and under some conditions this repair-promoting effect overcomes the repair-shielding effect of HMGB 1. In Chapter 4, the binding interaction of HMGB4, an HMG protein expressed exclusively in testis that may function as repair-shielding protein to platinated DNA, was established. The strong binding affinity and efficient repair inhibition of HMGB4 suggested that HMGB4 could act as a repair shield for cisplatin platinated DNA. Whether or it contributes to cisplatin sensitivity in live testes cells remains to be investigated. HMGB4 expression levels can be up-regulated by transfection with an HMGB4-encoding gene, especially in cells that do not naturally express HMGB4, or they can be down-regulated by use of RNAi method. The function of HMGB4 can be examined by investigating the cellular response to cisplatin of these modified cells. Preliminary results of HMGB4 studies in live cells are described in Appendices A and B. 141 It is also possible that some intracellular factors that vary among the different cell lines affect the ability of HMGB 1 to alter the repair of platinated DNA. Among such possible factors, we focused on the intracellular redox potential. The study presented in Chapter 3 reveals that the binding affinity of HMGB1 to platinated DNA decreases by a factor of more than 10 upon the formation of a disulfide bond between Cys22 and Cys44 in HMGB1 domain A. To verify that a difference in intracellular redox potential among cells is in fact an important factor in regulating the DNA binding of HMGB1, it would be interesting to determine whether a significant fraction of HMGB1 exists in its oxidized form in the intracellular environment and that the redox potential of cells is meaningfully correlated to the capability of HMGB1 to sensitize cells to cisplatin. A classical way of measuring the redox potential is to determine the ratio of oxidized and reduced forms of glutathione that exist in a cell extract.' There are also the redox assays that use redox-sensitive GFP probes to measure the intracellular redox potential without cell lysis. 2 It is possible to measure the redox potential in nuclei, where HMGB1 interacts with DNA, by expressing GFP having a nuclear targeting signal. To prove that redox potential is the regulatory factor in the function of HMGB1 in the mechanism of action of cisplatin, one might first determine the intracellular redox potential of various cell lines, and then investigate the influence of HMGB 1 in the cellular response to cisplatin via the knockdown of HMGB 1 in each cell line. In summary, the in vitro results presented in this thesis suggest a hypothesis that can explain the controversial results observed previously. Studies on live cells remain for further interrogation of these hypotheses. Once the repair-shielding ability of HMGB proteins on platinated DNA is determined in live cells, or ultimately, in vivo, we expect that our knowledge 142 of HMGB proteins will help predict the cisplatin sensitivity of tumors and provide further insight into the mechanism of action of cisplatin. 5.2. References (1) (2) Schafer, F. Q.; Buettner, G. R. Free Radic. Biol. Med. 2001, 30, 1191-1212. Hanson, G. T.; Aggeler, R.; Oglesbee, D.; Cannon, M.; Capaldi, R. A.; Tsien, R. Y.; Remington, S. J. J. Biol. Chem. 2004, 279, 13044-13053. 143 Appendix A. Expression Profiling of Human HMGB4 A.1. Purpose In Chapter 4, the binding properties of HMGB4 to platinated DNA and the repair inhibitory capability of HMGB4 in cell free extract (CFE) systems were described. The results showed that HMGB4 might act as a repair-shielding protein, contributing to the cisplatin hypersensitivity in testicular germ cell tumors (TGCTs). Previous reports on the testis-restricted expression of HMGB4 were based on western blot and RT-PCR studies using mouse tissues.1 To date, no expression profile of human HMGB4 has been established. Herein, we investigate whether human HMGB4 exhibits the same selective expression in human testis as reported for the mouse model. To verify our model, the expression levels of HMGB4 in human cancer cell lines originating from various tissues were investigated by western blot analysis. A.2. Experimental A.2.1. Cell Culture HeLa, A549, NTera2, MCF7, PC-3, 293/T17, U2OS, and Jurkat cell lines were obtained from ATCC. Cells were grown in DMEM (GIBCO/BRL) containing 10% FBS (GIBCO/BRL), 100 units/mL of penicillin, and 100 ptg/mL of streptomycin. All cells were incubated at 37 'C under a 5% CO 2 atmosphere. A.2.2. Western Blot Analysis Adherent cells were grown to 90% confluence in T75 cell culture flasks and collected after trypsinization followed by centrifugation. Jurkat cells were grown in 6 mL of medium in a T25 cell culture flask to a density of ~ 5 x 105 cells/mL and harvested by centrifugation. Protein extraction was carried out as previously described in Chapter 2. Whole cell extracts (40-50 pg) were separated by SDS-PAGE on a 4-20% Tris-HCl Ready-Gel (Bio-Rad) and then transferred 144 to the PVDF membrane in western transfer buffer (48 mM Tris-HCl, 39 mM glycine, pH 9.2, 0.0 1% SDS). After the transfer, the PVDF membrane was incubated in Tris buffered saline (TBS) buffer supplemented by 5% milk powder to block non-specific binding of antibodies. The subsequent antibody treatment and washing steps are identical to those described in Chapter 2. Anti-HMGB4 rabbit IgG SAB2104592 (Sigma Aldrich) and anti-Actin rabbit IgG (Sigma Aldrich) were used as a primary antibody and anti-Rabbit IgG goat antibody (Abcam) was used as a secondary antibody. A.3. Results and Discussion A.3.1. Expression Profile of Human HMGB4 in Cancer Cell Lines (A) (B) 0 Actin 25 kDa 20 kDa -+ HMGB4 1 Figure A.1. Western blot analysis of human HMGB4. (A) NTera2 (testicular cancer) and MCF7 (breast cancer) cells presented HMGB4 bands between 20 kDa and 25 kDa, whereas A549 cells lacked HMGB4 expression. (B) Among human cancer cell lines originating from different tissues, only NTera2 presented HMGB4 expression. In this particular western blot analysis, MCF7 did not show a HMGB4 band with observable intensity. In the western blot analysis, bands ascribed to HMGB4 were observed between 20 kDa and 25 kDa bands in protein molecular weight ladder, in agreement with the molecular weight of human HMGB4 (Figure A. L.A). The whole cell extracts of testicular (NTera2) and breast cancer cells (MCF7) showed a positive HMGB4 band (Figure A. L.A). Compared to the relatively strong signal observed in whole cell extracts of NTera2, a very weak HMGB4 band was observed in whole cell extracts of MCF7. No HMGB4 expression was observed in the whole cell extracts of lung (A549), prostate (PC-3), kidney (293/17), cervical (HeLa), and T-lymphocyte (Jurkat) 145 cancer cell lines. These results revealed that, as in the case of mouse HMGB4, human HMGB4 is expressed in a testis-preferred manner. The weak signal of HMGB4 in cell extracts from breast cancer cells indicates the influence of HMGB4 on the intracellular processes of breast cancer cells is probably not as strong as in testicular cancer cells. A.3.2. Future Directions NTera2 is derived from embryonal carcinomas (EC). HMGB4 expression levels in TGCT cell lines other than EC have to be investigated. In addition, considering that expression levels of many proteins alter during the immortalization process of primary cells, primary tissue from TGCT patients should be tested to confirm that expression of HMGB4 occurs in actual testicular tumor cells. A.4. References (1) Catena, R.; Escoffier, E.; Caron, C.; Khochbin, S.; Martianov, I.; Davidson, I. Biol. Reprod. 2009, 80, 358-366. 146 Appendix B. Attempts to Knockdown of HMGB4 in NTera2 B.1. Purpose The western blot analysis presented in Appendix A revealed that NTera2, an embryonal carcinomas cell line, expresses high levels of HMGB4, whereas other cell lines either do not express HMGB4 or present only very low levels of HMGB4. Here we describe attempts to establish HMGB4 knockdown NTera2 to investigate the influence of HMGB4 on the mechanism of action of cisplatin in TGCT. B.2. Experimental B.2.1. HMGB4 Knockdown in NTera2 by Transfection of shRNA Expression Vector We attempted to knockdown HMGB4 in NTera2 by transfection of HMGB4 short hairpin RNA (shRNA) expression vectors. The shRNA expression vectors were synthesized by inserting three HMGB4 shRNA target sequences into the pLKO1 vector as described in Chapter 2. Transfection of pLKO1 plasmids into NTera2 cells was carried out as described in Chapter 2. After transfection, cells were incubated in growth medium supplemented by 200 ng/mL of puromycin to select for cells containing the transfected DNA. Information for each stably transfected NTera2 cell line is described in Table B. 1. Homogeneous cloning was also attempted, but aborted due to observed changes in NTera2 morphology. Table B. 1. List of pLKO 1-Transfected NTera2 Cell Lines Designation Transfection Target Sequence NTera2 KD1 pLKO1 HMGB4 (1) 5'- GCTAAGTACTTCGAGGAACTT-3' NTera2 KD2 pLKOl HMGB4 (2) 5'- GCAAATGTCTCTTCTTACGTT-3' NTera2 KD3 pLKO1 HMGB4 (3) 5'- GCACCCTTATGAGCAAAGAGT-3' B.2.2. HMGB4 Knockdown in NTera2 by Viral Transduction 147 As an alternative approach to transfection of shRNA expression plasmids, viral transduction was attempted to acquire knockdown cell lines having better RNAi efficiency. The production of viral particles was carried out by Peter Bruno in the Hemann Lab at the Koch Institute as previously described.1 Four different target sequences were selected and cloned into the MSCV-LTRmirR30-SV40GFP vector. This vector has an RNA polymerase II promoter for shRNA expression, a GFP expression gene, a puromycin resistance gene, and a retroviral long terminal repeat (LTR) promoter. For transduction, 3 x 105 NTera2 cells were plated in 2 mL growth medium in 6-well plates. After overnight incubation at 37 'C under a 5% CO 2 atmosphere, 10 ptL of viral particle solution were directly added into each well. 48 h after the transduction, the medium was replaced by fresh medium supplemented with 200 ng/mL puromycin. After antibiotic selections, GFP-positive cells were sorted at the MIT fluorescence activated cell sorting (FACS) facility. The expression levels of HMGB4 in transduced cell lines were measured by western blot analysis as described in Appendix A. Information about each transduced NTera2 cell lines is presented in Table B.2. Table B.2. List of Viral-Transduced NTera2 Cell Lines aThe Designation Target Sequence NTera2 50a 5' - TCCATGTTCTATTCATTAGTA -3' NTera2 211 5' - CCCAAAGTTACTCAGCTAGTA - 3' NTera2 1115 5'- CACAGCTGTCATACCTGATTA - 3' NTera2 1757 5' - TCCAGCTAAAGCCTAAGGCAA - 3' number represents the start position of the target sequence in HMGB4 mRNA. B.3. Results and Discussion B.3.1. Expression Levels of HMGB4 in Stably Transfected Cell Lines 148 The HMGB4 expression levels in NTera2 cell lines transfected by pLKO 1 shRNA expression vectors were analyzed by western blots. Expression levels in heterogeneous NTera2 KD 1, KD2, and KD3 cells were not significantly different from that of parental NTera2 cells (Figure B. 1). Cells plated at low density for homogeneous cloning displayed a significantly altered neuron-like morphology, probably because of cell differentiation induced by low plating density.2 Actin HMGB4 Figure 8.1. Western blot analysis of HMGB4 in NTera2 cells transfected by pLKO1 shRNA expression vectors. No significant decrease of HMGB4 expression level is observed in all three knockdown cell lines as compared to parental NTera2 cell line. B.3.2. Viral Transduction for HMGB4 Knockdown Because the pLKO1 transfection followed by antibiotic selection was not effective for inducing significant knockdown of HMGB4 expression, a viral transduction was attempted as an alternative approach. Flow cytometry analysis of GFP expression after the antibiotic selection revealed that only 20-30% of the puromycin-resistant population was GFP positive (Figure B.2). To improve RNAi efficiency, the cells were sorted by the GFP signal. No considerable knockdown of HMGB4 was observed by western blot analysis of GFP positive cells (Figure B.3). 149 10111 s l0l1' 10 10 10 FITC-A FITC-A NTera21115 23.4% 10 10 10s 0 NTera21757 25.1% 3: 10 FITC-A FITC-A Figure B.2. Flow cytometry analysis of GFP expression in viral transduced NTera2 cells. Even after puromycin selection, less than half of cells express GFP. The ID and percentage of GFP positive population were noted in each histogram. Actin HMGB4 Figure B.3. Western blot analysis of NTera2 cells transduced by viral particle with HMGB4 shRNA gene. No significant decrease of HMGB4 expression was observed in any of transduced cells compared to parental NTera2 cells. B.3. Future Directions Neither transfection nor viral transduction of shRNA genes into NTera2 afforded knockdown. Establishing an HMGB4 knockdown NTera2 cell line with high RNAi efficiency is critical for investigating the influence of HMGB4 on the response of TGCT to cisplatin. Two alternatives to the attempted methodologies are i) using siRNA instead of shRNA expression 150 plasmids or ii) using a TGCT cell line that is not established from embryonic carcinomas, thus avoiding differentiation during development of homogeneous knockdown clones. Once the HMGB4 knockdown TGCT cell line has been established, the cellular response to cisplatin in HMGB4 knockdown TGCT cells can be tested by cytotoxicity and transcription assays. B.4. References (1) (2) Dickins, R. A.; Hemann, M. T.; Zilfou, J. T.; Simpson, D. R.; Ibarra, I.; Hannon, G. J.; Lowe, S. W. Nat. Genet. 2005, 37, 1289-1295. Rees, A. R.; Adamson, E. D.; Graham, C. F. Nature 1979, 281, 309-311. 151 BIOGRAPHY Semi Park was born in Seoul, Korea in 1985, to Myungsun Park and Hyejung Kim. She attended Seoul science high school where she became interested in Chemistry. She graduated from Seoul National University in 2007 with a B.Sc. in chemistry under the direction of Professor Seokmin Shin and Professor Seung Keun Kim. She received the Presidential Scholarship from Science and Engineering Foundation of Republic of Korea from 2003 to 2007. She began to study inorganic chemistry at MIT in 2007 and joined the laboratory of Professor Stephen J. Lippard, where she studied the role of high mobility group box proteins in the mechanism of action of cisplatin. 152 Semi Park Phone: 617-455-8844 E-mail: semipark@mit.edu 77 Massachusetts Avenue Cambridge, MA, 02139 EDUCATION Cambridge, MA Massachusetts Institute of Technology Ph.D. Candidate in Inorganic Chemistry September 2007 - August 2012 (expected) Seoul, Republic of Korea Seoul National University Bachelor of Science in Chemistry March 2003 - February 2007 EXPERIENCE Lippard Lab, MIT January 2008 - current Advisor: Prof. Stephen J. Lippard " Examined the function of proteins involved in the action of the mechanism of platinum-based anticancer drugs. * Identified the factors that regulate the interaction of high mobility group box 1 protein and cisplatin modified DNA, with special focus on intracellular redox potential. * Delineated the repair of the platinum-based anticancer drugs in repair-deficient system * Investigated the repair inhibitory function of HMGB proteins at both the intracellular and in vitro levels * Identified membrane proteins facilitating the uptake of cisplatin Molecular Biophysics and Material Lab March 2006 - August 2006 Advisor: Prof. Kim, Seong Keun . Observed behavior of photo-excited hot electrons on metal surfaces for investigating electron transfer across the interface. SKILLS Biochemistry: Protein expression in bacterial cells, Protein engineering by site-directed mutagenesis, Plasmid modification, PCR, Mass spectroscopy of oligonucleotides and proteins, Oligonucleotide sequencing, Radiolabeling of biomolecules, Protein purification, FPLC chromatography, Synthesis and purification of oligonucleotide, Chemical modification of DNA, Methods for studying DNA-protein interaction (EMSA, Hydroxyl radical/DNAse I footprinting, ITC), Western Blot, Native/Urea/SDS PAGE, 2D-protein PAGE, DNA repair assay in vitro Cell biology and Pharmaceutical Studies: Mammalian cell culture, Immunoprecipitation, Immunofluorescence, Establishment of modified cells by transient/stable transfection, Viral/Non-viral transfection, Cell sorting, Cytotoxicity assay of drugs, DNA repair assays in cultured cells, RNA purification and RT-PCR, Spheroid generation 153 Instruments: HPLC and FPLC, MALDI-TOF, LC-MS, UV/Vis, CD, fluorescence/luminescence spectroscopy, phosphoimager, DNA synthesizer Computer Skills: Office software packages, such as MS Word, Excel, PowerPoint; Chemistry-based software, such as Chemdraw, Scifinder Scholar, PyMol, Endnote; data processing software, such as Mathematica, Kaleidagraph, OriginLab, Illustrator, Prism. Languages: English, Korean (native speaker) AWARD/SCHOLARSHIPS IPMI Student Award: International Precious Metals Institute. 2010 MIT Presidential Fellowship. 2007 32nd Fellowship Graduate Student of the Korean Foundation for Advanced Studies Presidential Scholarship: Science and Engineering Foundation of Republic of Korea PUBLICATION Park, S. and Lippard, S.J. (2011) Redox State-Dependent Interaction of HMGB 1 and Cisplatin-Modified DNA. Biochemistry 50, 2567-2574 Park, S. and Lippard, S.J. Binding Interaction of IMGB4 with Cisplatin-Modified DNA, Manuscript submitted TEACHING EXPERIENCE Teaching assistant of MIT Course 5.111, Principle of Chemical Science: 2007. Fall Teaching assistant of MIT Course 5.310, Laboratory Chemistry: 2008. Spring PROFESSIONAL AFFILIATION Member of American Chemical Society Member of Society of Bioinorganic Chemistry 154