2ajv: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
==Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Cocaine== | ==Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Cocaine== | ||
<StructureSection load='2ajv' size='340' side='right' caption='[[2ajv]], [[Resolution|resolution]] 1.50Å' scene=''> | <StructureSection load='2ajv' size='340' side='right' caption='[[2ajv]], [[Resolution|resolution]] 1.50Å' scene=''> | ||
| Line 5: | Line 6: | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=COC:COCAINE'>COC</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=COC:COCAINE'>COC</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2ajs|2ajs]], [[2aju|2aju]], [[2ajx|2ajx]], [[2ajy|2ajy]], [[2ajz|2ajz]], [[2ak1|2ak1]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2ajs|2ajs]], [[2aju|2aju]], [[2ajx|2ajx]], [[2ajy|2ajy]], [[2ajz|2ajz]], [[2ak1|2ak1]]</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=2ajv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ajv OCA], [http://pdbe.org/2ajv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ajv RCSB], [http://www.ebi.ac.uk/pdbsum/2ajv 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=2ajv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ajv OCA], [http://pdbe.org/2ajv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2ajv RCSB], [http://www.ebi.ac.uk/pdbsum/2ajv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2ajv ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Evolutionary Conservation == | == Evolutionary Conservation == | ||
| Line 11: | Line 12: | ||
Check<jmol> | Check<jmol> | ||
<jmolCheckbox> | <jmolCheckbox> | ||
<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/aj/2ajv_consurf.spt"</scriptWhenChecked> | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/aj/2ajv_consurf.spt"</scriptWhenChecked> | ||
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
| Line 28: | Line 29: | ||
==See Also== | ==See Also== | ||
*[[Monoclonal | *[[Monoclonal Antibodies 3D structures|Monoclonal Antibodies 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
Revision as of 09:59, 9 May 2018
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with CocaineCrystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Cocaine
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
|
| ||||||||||||||||||