TY - JOUR
T1 - Cocrystallization studies of full-length recombinant butyrylcholinesterase (BChE) with cocaine
AU - Asojo, Oluwatoyin Ajibola
AU - Asojo, Oluyomi Adebola
AU - Ngamelue, Michelle N.
AU - Homma, Kohei
AU - Lockridge, Oksana
PY - 2011/4
Y1 - 2011/4
N2 - 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 Å resolution structure appears to retain the hydrolysis product benzoic acid in sufficient proximity to form a hydrogen bond to the active-site Ser198.
AB - 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 Å resolution structure appears to retain the hydrolysis product benzoic acid in sufficient proximity to form a hydrogen bond to the active-site Ser198.
KW - BChE
KW - cocaine hydrolysis
KW - recombinant butyrylcholinesterase
UR - http://www.scopus.com/inward/record.url?scp=79955092621&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=79955092621&partnerID=8YFLogxK
U2 - 10.1107/S1744309111004805
DO - 10.1107/S1744309111004805
M3 - Article
C2 - 21505234
AN - SCOPUS:79955092621
SN - 1744-3091
VL - 67
SP - 434
EP - 437
JO - Acta Crystallographica Section F: Structural Biology and Crystallization Communications
JF - Acta Crystallographica Section F: Structural Biology and Crystallization Communications
IS - 4
ER -