Comparison of coupled motions in Escherichia coli and Bacillus subtilis dihydrofolate reductase.

Abstract

Hybrid quantum/classical molecular dynamics simulations are used to compare the role of protein motion in the hydride transfer reaction catalyzed by Escherichia coli and Bacillus subtilis dihydrofolate reductase (DHFR). These two enzymes have 44% sequence identity, and the experimentally determined structures and hydride transfer rates are similar. The… (More)

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@article{Watney2006ComparisonOC, title={Comparison of coupled motions in Escherichia coli and Bacillus subtilis dihydrofolate reductase.}, author={James B Watney and Sharon Hammes-Schiffer}, journal={The journal of physical chemistry. B}, year={2006}, volume={110 20}, pages={10130-8} }