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M. G. Khrenova, E. D. Kots, A. M. Kulakova, I. V. Polyakov
Modeling
GTP hydrolysis in protein complex RasGAP
Abstract
Fragmented molecular orbitals and combined quantum mechanics /
molecular mechanic methods are applied to calculate geometry configurations and
relative energies of the intermediates of GTP hydrolysis in protein complex
RasGAP. It was proved that hydrolysis of the GTP P–O bond results in the
formation of inorganic phosphate H2PO4– and
tautomerization of the side chain of Gln61 to the imide form.
Key words: GTP , Ras, GAP,
enzymatic hydrolysis.
Copyright (C) Chemistry Dept., Moscow State University, 2002
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