QM/MM simulations predict a covalent intermediate in the hen egg white lysozyme reaction with its natural substrate

被引：64

作者：

Bowman, Anna L. ^{[1
]}

Grant, Ian M. ^{[1
]}

Mulholland, Adrian J. ^{[1
]}

机构：

[1] Univ Bristol, Sch Chem, Ctr Computat Chem, Bristol BS8 1TS, Avon, England

来源：

CHEMICAL COMMUNICATIONS | 2008年 / 37期

基金：

英国生物技术与生命科学研究理事会; 英国工程与自然科学研究理事会; 英国惠康基金;

关键词：

D O I：

10.1039/b810099c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulations indicate that the reaction of native HEWL with its natural substrate involves a covalent intermediate, in contrast to the 'textbook' mechanism for this seminal enzyme.

引用

页码：4425 / 4427

页数：3

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