2ajx

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[[Image:2ajx.gif|left|200px]]
 
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{{Structure
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==Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Transition State Analog==
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|PDB= 2ajx |SIZE=350|CAPTION= <scene name='initialview01'>2ajx</scene>, resolution 1.850&Aring;
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<StructureSection load='2ajx' size='340' side='right'caption='[[2ajx]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=TGN:3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC+ACID+METHYL+ESTER'>TGN</scene>
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<table><tr><td colspan='2'>[[2ajx]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AJX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2AJX FirstGlance]. <br>
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|ACTIVITY=
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.85&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=TGN:3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC+ACID+METHYL+ESTER'>TGN</scene></td></tr>
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|DOMAIN=
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2ajx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ajx OCA], [https://pdbe.org/2ajx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ajx RCSB], [https://www.ebi.ac.uk/pdbsum/2ajx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ajx ProSAT]</span></td></tr>
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|RELATEDENTRY=[[2ajs|2AJS]], [[2aju|2AJU]], [[2ajv|2AJV]], [[2ajy|2AJY]], [[2ajz|2AJZ]], [[2ak1|2AK1]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2ajx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ajx OCA], [http://www.ebi.ac.uk/pdbsum/2ajx PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2ajx RCSB]</span>
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== Function ==
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}}
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[https://www.uniprot.org/uniprot/IGKC_MOUSE IGKC_MOUSE]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/aj/2ajx_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2ajx ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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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'''Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Transition State Analog'''
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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<ref>PMID:16472740</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 2ajx" style="background-color:#fffaf0;"></div>
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==Overview==
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==See Also==
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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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*[[Monoclonal Antibodies 3D structures|Monoclonal Antibodies 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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2AJX is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AJX OCA].
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__TOC__
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</StructureSection>
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==Reference==
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[[Category: Large Structures]]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/16472740 16472740]
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[[Category: Mus musculus]]
[[Category: Mus musculus]]
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[[Category: Protein complex]]
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[[Category: Wilson IA]]
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[[Category: Wilson, I A.]]
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[[Category: Zhu X]]
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[[Category: Zhu, X.]]
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[[Category: catalytic antibody]]
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[[Category: fab]]
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[[Category: hydrolytic]]
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[[Category: transition state analog]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:53:41 2008''
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Current revision

Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Transition State Analog

PDB ID 2ajx

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