Article
Long-range effects of a peripheral mutation on the enzymatic activity of cytochrome P450 1A2.
Journal of chemical information and modeling - 27 Jun 2011
Zhang Tao, Liu Limin Angela, Lewis David F V, Wei Dong-Qing
Abstract excerpt
The human cytochrome P450 1A2 is an important drug metabolizing and procarcinogen activating enzyme. An experimental study found that a peripheral mutation, F186L, at ∼26 Å away from the enzyme's active site, caused a significant reduction in the enzymatic activity of 1A2 deethylation reactions. In this paper, we explored the effects of this mutation by carrying out molecular dynamics simulations and structural...
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