1ju3
From Proteopedia
| Line 1: | Line 1: | ||
[[Image:1ju3.gif|left|200px]] | [[Image:1ju3.gif|left|200px]] | ||
| - | + | <!-- | |
| - | + | The line below this paragraph, containing "STRUCTURE_1ju3", creates the "Structure Box" on the page. | |
| - | + | You may change the PDB parameter (which sets the PDB file loaded into the applet) | |
| - | + | or the SCENE parameter (which sets the initial scene displayed when the page is loaded), | |
| - | | | + | or leave the SCENE parameter empty for the default display. |
| - | | | + | --> |
| - | + | {{STRUCTURE_1ju3| PDB=1ju3 | SCENE= }} | |
| - | + | ||
| - | + | ||
| - | }} | + | |
'''BACTERIAL COCAINE ESTERASE COMPLEX WITH TRANSITION STATE ANALOG''' | '''BACTERIAL COCAINE ESTERASE COMPLEX WITH TRANSITION STATE ANALOG''' | ||
| Line 33: | Line 30: | ||
[[Category: Turner, J M.]] | [[Category: Turner, J M.]] | ||
[[Category: Wilson, I A.]] | [[Category: Wilson, I A.]] | ||
| - | [[Category: | + | [[Category: Alpha/beta hydrolase]] |
| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 21:55:21 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 18:55, 2 May 2008
BACTERIAL COCAINE ESTERASE COMPLEX WITH TRANSITION STATE ANALOG
Overview
Here we report the first structure of a cocaine-degrading enzyme. The bacterial esterase, cocE, hydrolyzes pharmacologically active (-)-cocaine to a non-psychoactive metabolite with a rate faster than any other reported cocaine esterase (kcat = 7.8 s-1 and KM = 640 nM). Because of the high catalytic proficiency of cocE, it is an attractive candidate for novel protein-based therapies for cocaine overdose. The crystal structure of cocE, solved by multiple anomalous dispersion (MAD) methods, reveals that cocE is a serine esterase composed of three domains: (i) a canonical alpha/beta hydrolase fold (ii) an alpha-helical domain that caps the active site and (iii) a jelly-roll-like beta-domain that interacts extensively with the other two domains. The active site was identified within the interface of all three domains by analysis of the crystal structures of transition state analog adduct and product complexes, which were refined at 1.58 A and 1.63 A resolution, respectively. These structural studies suggest that substrate recognition arises partly from interactions between the benzoyl moiety of cocaine and a highly evolved specificity pocket.
About this Structure
1JU3 is a Single protein structure of sequence from Rhodococcus sp. mb1. Full crystallographic information is available from OCA.
Reference
Crystal structure of a bacterial cocaine esterase., Larsen NA, Turner JM, Stevens J, Rosser SJ, Basran A, Lerner RA, Bruce NC, Wilson IA, Nat Struct Biol. 2002 Jan;9(1):17-21. PMID:11742345 Page seeded by OCA on Fri May 2 21:55:21 2008
