The BRENDA Enzyme Information System. Module B4. Ligand Search Substructure Search
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1 BRENDA Training The BRENDA Enzyme Information System Web Interface Module B4 Ligand Search Substructure Search The Enzyme Information System BRENDA 1
2 Enzyme ligands are Substrates Products Cofactors Prosthetic groups Inhibitors Activating compounds The Enzyme Information System BRENDA 2
3 Enzyme ligands are Substrates Products Cofactors Prosthetic groups Inhibitors Activating compounds Most of them (~108,000 in 2011) are available as 2D-structures (incl. synonyms) Most of them (~78,000) represent distinct structures The Enzyme Information System BRENDA 3
4 Web interface (Module 1) Overview Module B0 Introduction to BRENDA History, scope and content Data sources and updates BRENDA on the web Module B1 Web interface Search modes Enzyme Summary Page EC Explorer Quick Search Module B2 Web interface Sequence Search Genome Explorer 3D Structure Functional Enzyme Parameters Module B3 Web interface Ontology Explorer TaxTree Explorer Module B4 Web interface Enzyme ligands Ligand Search Substructure Search Module B5 Computer-based access SOAP Textfile with BRENDA core data SBML output Exercises The Enzyme Information System BRENDA 4
5 Ligand search Enzyme ligand information March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 45
6 Ligand search Enzyme inhibitor information March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 46
7 Ligand search - Inhibitors March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 47
8 Ligand search - Inhibitors March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 48
9 Ligand search Enzyme ligand information March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 49
10 Ligand search March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 410
11 Ligand search March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 411
12 Ligand search Enzyme ligand information March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 412
13 Ligand search Ligand View x March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 413
14 Ligand search Ligand View Navigation bar March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 414
15 Web interface (Module 1) Overview Module B0 Introduction to BRENDA History, scope and content Data sources and updates BRENDA on the web Module B1 Web interface Search modes Enzyme Summary Page EC Explorer Quick Search Module B2 Web interface Sequence Search Genome Explorer 3D Structure Functional Enzyme Parameters Module B3 Web interface Ontology Explorer TaxTree Explorer Module B4 Web interface Enzyme ligands Ligand Search Substructure Search Module B5 Computer-based access SOAP Textfile with BRENDA core data SBML output Exercises The Enzyme Information System BRENDA 15
16 Structure-based search March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 416
17 Structure-based search March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 417
18 Structure-based search March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 418
19 Structure-based search Exact match (molecule queried) March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 419
20 Structure-based search Ligands with similar (sub-)structure March, 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDAaspects 420
21 Acknowledgements Financial support to BRENDA by European Union projects FELICS and SLING is gratefully acknowledged. This BRENDA training session was funded by the SLING project. Sept., March, 8th 2nd 2009 BRENDA The Enzyme - Technical Information and System bioinformatical BRENDA aspects 421
The BRENDA Enzyme Information System. Computer-based access. Module B5
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