2ak1: Difference between revisions
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==Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acid== | ==Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acid== | ||
<StructureSection load='2ak1' size='340' side='right' caption='[[2ak1]], [[Resolution|resolution]] 1.85Å' scene=''> | <StructureSection load='2ak1' size='340' side='right' caption='[[2ak1]], [[Resolution|resolution]] 1.85Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[2ak1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[2ak1]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AK1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2AK1 FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BEZ:BENZOIC+ACID'>BEZ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BEZ:BENZOIC+ACID'>BEZ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2ajs|2ajs]], [[2aju|2aju]], [[2ajv|2ajv]], [[2ajx|2ajx]], [[2ajy|2ajy]], [[2ajz|2ajz]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2ajs|2ajs]], [[2aju|2aju]], [[2ajv|2ajv]], [[2ajx|2ajx]], [[2ajy|2ajy]], [[2ajz|2ajz]]</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ak1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ak1 OCA], [http://pdbe.org/2ak1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ak1 RCSB], [http://www.ebi.ac.uk/pdbsum/2ak1 PDBsum]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ak1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ak1 OCA], [http://pdbe.org/2ak1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ak1 RCSB], [http://www.ebi.ac.uk/pdbsum/2ak1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2ak1 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
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==See Also== | ==See Also== | ||
*[[ | *[[3D structures of monoclonal antibody|3D structures of monoclonal antibody]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Lk3 transgenic mice]] | ||
[[Category: Wilson, I A]] | [[Category: Wilson, I A]] | ||
[[Category: Zhu, X]] | [[Category: Zhu, X]] | ||
Revision as of 14:18, 12 October 2017
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acidCrystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acid
Structural highlights
Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedAntibody 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. 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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