Density functional study of the mechanism of a tyrosine phosphatase: I. Intermediate formation.

Abstract

The first step in the catalytic mechanism of a protein tyrosine phosphatase, the transfer of a phosphate group from the phosphotyrosine substrate to a cysteine side chain of the protein to form a phosphoenzyme intermediate, has been studied by combining density functional calculations of an active-site cluster with continuum electrostatic descriptions of… (More)

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@article{Asthagiri2002DensityFS, title={Density functional study of the mechanism of a tyrosine phosphatase: I. Intermediate formation.}, author={Dilipkumar Asthagiri and Valerie Dillet and Tiqing Liu and Louis Noodleman and Robert L Van Etten and Donald Bashford}, journal={Journal of the American Chemical Society}, year={2002}, volume={124 34}, pages={10225-35} }