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'''Crystal structure of cocaine catalytic antibody 7A1 Fab' in complex with heptaethylene glycol''' | '''Crystal structure of cocaine catalytic antibody 7A1 Fab' in complex with heptaethylene glycol''' | ||
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==About this Structure== | ==About this Structure== | ||
Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AJS OCA]. | |||
==Reference== | ==Reference== | ||
Complete reaction cycle of a cocaine catalytic antibody at atomic resolution., Zhu X, Dickerson TJ, Rogers CJ, Kaufmann GF, Mee JM, McKenzie KM, Janda KD, Wilson IA, Structure. 2006 Feb;14(2):205-16. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16472740 16472740] | Complete reaction cycle of a cocaine catalytic antibody at atomic resolution., Zhu X, Dickerson TJ, Rogers CJ, Kaufmann GF, Mee JM, McKenzie KM, Janda KD, Wilson IA, Structure. 2006 Feb;14(2):205-16. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16472740 16472740] | ||
[[Category: Wilson, I A.]] | [[Category: Wilson, I A.]] | ||
[[Category: Zhu, X.]] | [[Category: Zhu, X.]] | ||
[[Category: | [[Category: Catalytic antibody]] | ||
[[Category: | [[Category: Cocaine]] | ||
[[Category: | [[Category: Fab]] | ||
[[Category: | [[Category: Heptaethylene glycol]] | ||
[[Category: | [[Category: Hydrolytic]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 19:08:21 2008'' | |||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | |||
Revision as of 19:08, 3 May 2008
Crystal structure of cocaine catalytic antibody 7A1 Fab' in complex with heptaethylene glycol
OverviewOverview
Antibody 7A1 hydrolyzes cocaine to produce nonpsychoactive metabolites ecgonine methyl ester and benzoic acid. Crystal structures of 7A1 Fab' and six complexes with substrate cocaine, the transition state analog, products ecgonine methyl ester and benzoic acid together and individually, as well as heptaethylene glycol have been analyzed at 1.5-2.3 angstroms resolution. Here, we present snapshots of the complete cycle of the cocaine hydrolytic reaction at atomic resolution. Significant structural rearrangements occur along the reaction pathway, but they are generally limited to the binding site, including the ligands themselves. Several interacting side chains either change their rotamers or alter their mobility to accommodate the different reaction steps. CDR loop movements (up to 2.3 angstroms) and substantial side chain rearrangements (up to 9 angstroms) alter the shape and size (approximately 320-500 angstroms3) of the antibody active site from "open" to "closed" to "open" for the substrate, transition state, and product states, respectively.
About this StructureAbout this Structure
Full crystallographic information is available from OCA.
ReferenceReference
Complete reaction cycle of a cocaine catalytic antibody at atomic resolution., Zhu X, Dickerson TJ, Rogers CJ, Kaufmann GF, Mee JM, McKenzie KM, Janda KD, Wilson IA, Structure. 2006 Feb;14(2):205-16. PMID:16472740 Page seeded by OCA on Sat May 3 19:08:21 2008