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.

All Other Basic Organic Chemical Manufacturing, Enzymes, Other Basic Organic Chemical Manufacturing, Enzymes for Food Processing, Quantum chemistry, Acylation, Substrates, Chemical properties

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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.

Proteins, Chemistry, Physical and theoretical, Physical chemistry, Hydrolysis

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