Article
Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
Journal of the American Chemical Society - 10 Jan 2018
Sun Zhoutong, Wu Lian, Bocola Marco, Chan H C Stephen, Lonsdale Richard, Kong Xu-Dong, Yuan Shuguang, Zhou Jiahai, Reetz Manfred T
Abstract excerpt
Directed evolution of limonene epoxide hydrolase (LEH), which catalyzes the hydrolytic desymmetrization reactions of cyclopentene oxide and cyclohexene oxide, results in (R,R)- and (S,S)-selective mutants. Their crystal structures combined with extensive theoretical computations shed light on the mechanistic intricacies of this widely used enzyme. From the computed activation energies of various pathways, we...
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