2ajv: Difference between revisions
New page: left|200px<br /> <applet load="2ajv" size="450" color="white" frame="true" align="right" spinBox="true" caption="2ajv, resolution 1.50Å" /> '''Crystal Structure o... |
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[[Image:2ajv.gif|left|200px]]<br /> | [[Image:2ajv.gif|left|200px]]<br /><applet load="2ajv" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="2ajv, resolution 1.50Å" /> | caption="2ajv, resolution 1.50Å" /> | ||
'''Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Cocaine'''<br /> | '''Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Cocaine'''<br /> | ||
==Overview== | ==Overview== | ||
Antibody 7A1 hydrolyzes cocaine to produce nonpsychoactive metabolites | 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 Structure== | ==About this Structure== | ||
2AJV is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus] with COC as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | 2AJV is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus] with <scene name='pdbligand=COC:'>COC</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AJV OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Mus musculus]] | [[Category: Mus musculus]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Wilson, I | [[Category: Wilson, I A.]] | ||
[[Category: Zhu, X.]] | [[Category: Zhu, X.]] | ||
[[Category: COC]] | [[Category: COC]] | ||
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[[Category: hydrolytic]] | [[Category: hydrolytic]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:28:13 2008'' | ||
Revision as of 17:28, 21 February 2008
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Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Cocaine
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
2AJV is a Protein complex structure of sequences from Mus musculus with as ligand. 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
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