Title : QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate.

Pub. Date : 2005 Aug 15

PMID : 15906320






3 Functional Relationships(s)
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1 The mechanism of the hydrolysis reaction of guanosine triphosphate (GTP) by the protein complex Ras-GAP (p21(ras) - p120(GAP)) has been modeled by the quantum mechanical-molecular mechanical (QM/MM) and ab initio quantum calculations. Guanosine Triphosphate H3 histone pseudogene 16 Homo sapiens
2 The mechanism of the hydrolysis reaction of guanosine triphosphate (GTP) by the protein complex Ras-GAP (p21(ras) - p120(GAP)) has been modeled by the quantum mechanical-molecular mechanical (QM/MM) and ab initio quantum calculations. Guanosine Triphosphate H3 histone pseudogene 16 Homo sapiens
3 At the first stage, a unified motion of Arg789 of GAP, Gln61, Thr35 of Ras, and the lytic water molecule results in a substantial spatial separation of the gamma-phosphate group of GTP from the rest of the molecule (GDP). Guanosine Triphosphate H3 histone pseudogene 16 Homo sapiens