A theoretical study on the substrate deacylation mechanism of class C beta-lactamase
Article Abstract:
Quantum chemical calculations are performed under physiological conditions to investigate the whole reaction of the deacylation of class C beta-lactamase. The deacylation reaction consisted of two elementary processes including the formation of a tetrahedral intermediate and the detachment of the hydroxylated substrate from the enzyme.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Atomic-scale mechanism of the GTP -> GDP hydrolysis reaction by the Gi(alpha)1 protein
Article Abstract:
The quantum chemical calculations were carried out to investigate the hydrolysis reaction of GTP -> GDP by Gi(alpha)1, one kind of protein. A Gln residue, a part of GTPase activating protein (GAP), plays an important role in maintaining the position of an H2O molecule near gamma-phosphate of GTP.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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