Mechanism of methane monooxygenase – a structural and quantum chemical perspective
Mechanism of methane monooxygenase – a structural and quantum chemical perspective
复制标题
甲烷单加氧酶的机制——结构和量子化学视角
DOI：
10.1007/s007750050238
复制
发表时间：
1998
期刊：
影响因子：
--
通讯作者：
P. Nordlund
中科院分区：
文献类型：
--
作者：
P. Siegbahn;R. Crabtree;P. Nordlund
摘要甲烷单加氧酶（MMO）的二铁位点具有独特的活化甲烷的能力。 MMO二铁位点的结构研究揭示了有限数量的双氧和双氧衍生物种的配位位点。使用MMO反应的量子力学研究，几种可能的反应路径进行了研究。能量上可行的几何形状已经获得了不同的反应步骤，其中基板活化是最好的描述由一个几乎纯的氢提取步骤，然后由金属-碳键的形成。
Abstract The diiron site of methane monooxygenase (MMO) has the unique ability to activate methane. Structural studies of the MMO diiron site have revealed a limited number of coordination sites for dioxygen and dioxygen derived species. Using quantum mechanical studies of the MMO reaction, several possible reaction paths have been investigated. Energetically feasible geometries have been obtained for the different reaction steps, where the substrate activation is best described by an almost pure hydrogen abstraction step, followed by the formation of a metal-carbon bond.