2ajs
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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
2AJS is a Protein complex structure of sequences from Mus musculus with SO4, P33 and GOL as ligands. 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 Sun Nov 18 09:47:09 2007