Functional Synthetic Model for the Lanthanide-Dependent Quinoid Alcohol Dehydrogenase Active Site
Functional Synthetic Model for the Lanthanide-Dependent Quinoid Alcohol Dehydrogenase Active Site
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DOI：
10.1021/jacs.7b12318
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发表时间：
2018-01-31
影响因子：
15
通讯作者：
Schelter, Eric J.
中科院分区：
文献类型：
--
作者：
McSkimming, Alex;Cheisson, Thibault;Schelter, Eric J.
脱氢酶对甲醇的氧化是细菌甲烷代谢循环的重要组成部分。最近在XoxF脱氢酶活性位点发现的镧系元素（Ln）阳离子代表了稀土元素在生理作用中的唯一例子。在这里，我们报告的第一个合成，功能模型的Ln依赖性脱氢酶和它的化学计量和催化脱氢的苯甲醇。密度泛函理论计算暗示这些反应的氢化物转移机制。
The oxidation of methanol by dehydrogenase enzymes is an essential part of the bacterial methane metabolism cycle. The recent discovery of a lanthanide (Ln) cation in the active site of the XoxF dehydrogenase represents the only example of a rare-earth element in a physiological role. Herein, we report the first synthetic, functional model of Ln-dependent dehydrogenase and its stoichiometric and catalytic dehydrogenation of a benzyl alcohol. Density functional theory calculations implicate a hydride transfer mechanism for these reactions.