3O9M: Co-Crystallization Studies Of Full Length Recombinant Bche With Cocaine Offers Insights Into Cocaine Detoxification

Citation:
Abstract
Human butyrylcholinesterase (BChE; EC 3.1.1.8) is a 340 kDa tetrameric glycoprotein that is present in human serum at about 5 mg l(-1) and has well documented therapeutic effects on cocaine toxicity. BChE holds promise as a therapeutic that reduces and finally eliminates the rewarding effects of cocaine, thus weaning an addict from the drug. There have been extensive computational studies of cocaine hydrolysis by BChE. Since there are no reported structures of BChE with cocaine or any of the hydrolysis products, full-length monomeric recombinant wild-type BChE was cocrystallized with cocaine. The refined 3 A resolution structure appears to retain the hydrolysis product benzoic acid in sufficient proximity to form a hydrogen bond to the active-site Ser198.
PDB ID: 3O9MDownload
MMDB ID: 89844
PDB Deposition Date: 2010/8/4
Updated in MMDB: 2011/05
Experimental Method:
x-ray diffraction
Resolution: 2.98  Å
Source Organism:
Similar Structures:
Biological Unit for 3O9M: tetrameric; determined by author
Molecular Components in 3O9M
Label Count Molecule
Proteins (4 molecules)
4
Cholinesterase(Gene symbol: BCHE)
Molecule annotation
Chemicals (4 molecules)
1
4
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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