TECHNION - ISRAEL INSTITUTE OF TECHNOLOGY DEPARTMENT OF COMPUTER SCIENCE HAIFA 32000, ISRAEL מכון טכנולוגי לישראל- הטכניון הפקולטה למדעי המחשב 00333 חיפה +972-4-8294313 :'טל +972-4-8293900 :'פקס www.cs.technion.ac.il Tel.: +972-4-8294313 Fax.: +972-4-8293900 www.cs.technion.ac.il Bioinformatics Workshop Series Bioinformatics of protein structures Date & time: Tuesday, June 28, 2005, 9:30-16:00 Location : Auditorium, Faculty of Biology, Technion Program : 9:30 - 9:45 Registration 9:45 - 10:35 Residue networks analysis of protein structures Dr. Gil Amitai and Dr. Shmuel Pietrokovski Protein structure data can be transformed into residue interaction networks. Analyzing these graphs identifies functional sites such as - active sites, ligand binding sites, and regions whose structural changes activate enzymes. 10:35 - 10:55 Coffee break 10:55 - 11:45 Analysis and prediction of protein metal-binding sites Mariana Babor The effect of metal binding on protein structure is presented. Rules are derived and incorporated into an algorithm to predict Zn binding sites on the metal unbound forms of proteins. 11:55 - 12:45 Structural analysis of protein-protein interactions Vladimir Potapov Complex formation using a rigid-like substructure on protein surfaces in sandwich-like proteins is supported by structural analysis. We identified an interface core between immunoglobulins light and heavy chains that presumably allows fast recognition and initial binding of the chains. 14:30-16:00 DEMO session Dr. Gil Amitai and Eran Eyal Practical usage of protein structural analysis servers * predicting functional sites from protein residue networks A web server calculating and displaying likely functional sites of protein-structures from their residues interaction networks will be demonstrated. * modeling side-chain conformations A web server implementing our new approach for side chain modeling will be demonstrated. This tool is appropriate for homology modeling as well as for prediction local structural changes in regions of point mutations. * structural effects of point mutations An interactive database (MutaProt) which holds information about structural changes in the local regions of point mutations will be presented. For each mutation a detailed analysis of the structure and the atomic contacts are available. References & Links 1. SARIG protein structure network analysis: Amitai G, Shemesh A, Sitbon E, Shklyar M, Netanely D, Venger I & Pietrokovski S, Network analysis of protein structures identifies functional residues, J Molecular Biology 344:1136-1145 2004, (Pubmed ID: 15544817) 2. SARIG WWW server: http://www.weizmann.ac.il/SARIG 3. Babor M, Greenblatt HM, Edelman M, & Sobolev V, Flexibility of metal binding sites in proteins on a database scale. Proteins 59:221-230 2005. (Pubmed ID: 15726624) 4. Potapov V, Sobolev V, Edelman M, Kister A, & Gelfand I, Protein-protein recognition: juxtaposition of domain and interface cores in immunoglobulins and other sandwich-like proteins. J Molecular Biology 342:665-679 2004. (Pubmed ID: 15327963) 5.aProt interactive database: http://ligin.weizmann.ac.il/mutaprot Lecturers: Dr. Shmuel Pietrokovski, Molecular Genetics Dept., Weizmann Institute of Science Dr. Gil Amitai, Biological Chemistry Dept., Weizmann Institute of Science Mariana Babor, Plant Sciences Dept., Weizmann Institute of Science Vladimir Potapov, Plant Sciences Dept., Weizmann Institute of Science Eran Eyal, Plant Sciences Dept., Weizmann Institute of Science Please register by e-mail to mshmoish@cs.technion.ac.il This workshop is sponsored by the Center of Knowledge for Bioinformatics Infrastructure (COBI), supported by the Ministry of Science.