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Article

Computational characterization of the chemical step in the GTP hydrolysis by Ras-GAP for the wild-type and G13V mutated Ras.

Proteins - 1 Jun 2015

Mironov Vladimir A, Khrenova Maria G, Lychko Leonora A, Nemukhin Alexander V

Abstract excerpt

The free energy profiles for the chemical reaction of the guanosine triphosphate hydrolysis GTP + H2O → GDP + Pi by Ras-GAP for the wild-type and G13V mutated Ras were computed by using molecular dynamics protocols with the QM(ab initio)/MM potentials. The results are consistent with the recent measurements of reaction kinetics in Ras-GAP showing about two-order reduction of the rate constant upon G13V mutation...

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PMID: 25820867
DOI: 10.1002/prot.24802

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