2ajx: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
[[Image:2ajx.gif|left|200px]] | [[Image:2ajx.gif|left|200px]] | ||
'''Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Transition State Analog''' | {{Structure | ||
|PDB= 2ajx |SIZE=350|CAPTION= <scene name='initialview01'>2ajx</scene>, resolution 1.850Å | |||
|SITE= | |||
|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> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Transition State Analog''' | |||
==Overview== | ==Overview== | ||
| Line 7: | Line 16: | ||
==About this Structure== | ==About this Structure== | ||
2AJX is a [ | 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]. | ||
==Reference== | ==Reference== | ||
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:// | 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] | ||
[[Category: Mus musculus]] | [[Category: Mus musculus]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| Line 21: | Line 30: | ||
[[Category: transition state analog]] | [[Category: transition state analog]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:50:37 2008'' | ||
Revision as of 13:50, 20 March 2008
| |||||||||||||
| 2ajx, resolution 1.850Å | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ligands: | TGN | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Transition State Analog
Overview
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
2AJX is a Protein complex structure of sequences from Mus musculus. Full crystallographic information is available from OCA.
Reference
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 Thu Mar 20 15:50:37 2008
