2ak1

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{{STRUCTURE_2ak1| PDB=2ak1 | SCENE= }}
{{STRUCTURE_2ak1| PDB=2ak1 | SCENE= }}
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'''Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acid'''
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===Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acid===
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==Overview==
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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.
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{{ABSTRACT_PUBMED_16472740}}
==About this Structure==
==About this Structure==
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[[Category: Fab]]
[[Category: Fab]]
[[Category: Hydrolytic]]
[[Category: Hydrolytic]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 19:08:52 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 02:37:21 2008''

Revision as of 23:37, 27 July 2008

Image:2ak1.png

Template:STRUCTURE 2ak1

Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acid

Template:ABSTRACT PUBMED 16472740

About this Structure

Full crystallographic information is available from OCA.

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:16472740

Page seeded by OCA on Mon Jul 28 02:37:21 2008

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