Article
Investigation of the rescue mechanism catalyzed by a nucleophile mutant of rice BGlu1.
Journal of molecular graphics & modelling - 1 Nov 2014
Wang Jinhu, Zhang Rui, Liu Rutao, Liu Yongjun
Abstract excerpt
In the present study, the quantum mechanical/molecular mechanical (QM/MM) method was used to investigate the rescue mechanism of an E386G mutant as well as the glycosylation mechanism of the wild rice β-D-glucosidase. E386G mutant experiences an asynchronous collaborative process to glycosylate the anionic formate with an energy barrier of 22.6 kcal/mol, while the energy barrier is 25.9 kcal/mol for the wild...
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