Handling methane: a Ni(I) F430-like cofactor derived from VB12 is active in methyl-coenzyme M reductase,Chemical Communications

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Handling methane: a Ni(I) F430-like cofactor derived from VB12 is active in methyl-coenzyme M reductase
Chemical Communications ( IF 4.3 ) Pub Date : 2020-11-23 , DOI: 10.1039/d0cc06591a
Jue Wu _{1,

2,

3} , Shi-Lu Chen _{1,

2,

3}

Affiliation

Replacing coenzyme F₄₃₀, an Ni(I) F₄₃₀-like cofactor derived from vitamin B₁₂ (F_430-B12) is revealed by DFT calculations to be able to catalyze methane formation in methyl-coenzyme M reductase with a barrier of 13.3 kcal mol⁻¹, demonstrating the correctness of the route starting from vitamin B₁₂. The structure–activity relationships of F₄₃₀ and F_430-B12 (especially the roles of the F ring) are discovered and several sources of inspiration promoting the application of F_430-B12 are also obtained, coming closer to using F₄₃₀ chemistry in man-made catalysis.

中文翻译：

处理甲烷：衍生自VB12的Ni（I）F430样辅因子在甲基辅酶M还原酶中具有活性

DFT计算显示，替代辅酶F ₄₃₀（一种衍生自维生素B ₁₂的Ni（I）F ₄₃₀样辅因子（F _430-B12））可以催化甲基辅酶M还原酶中的甲烷形成，其阻隔力为13.3 kcal。 mol ^-1，表明从维生素B ₁₂开始的路线的正确性。发现了F ₄₃₀和F _430-B12的结构-活性关系（特别是F环的作用），并且获得了促进F _430-B12应用的一些灵感来源，更接近于在人中使用F ₄₃₀化学催化。

更新日期：2020-12-16

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