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A theoretical model study of the mechanism of action of the enzyme glyoxylase I
Author(s) -
Lavery Richard,
Pullman Bernard
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560160732
Subject(s) - glyoxal , chemistry , computational chemistry , enzyme , ab initio , mechanism (biology) , reaction mechanism , mechanism of action , active site , magnesium , molecular model , ion , stereochemistry , biochemistry , organic chemistry , physics , catalysis , quantum mechanics , in vitro
SCF ab‐initio molecular orbital calculations on a model of the glyoxylase metabolism of methyl glyoxal to lactic acid are presented. Possible reaction pathways are described and the importance of a magnesium ion and of a basic amino acid residue at the active site of the enzyme glyoxylase I, suggested by experimental studies, is investigated.