Lanthanide-induced conformational change of methanol dehydrogenase involving coordination change of cofactor pyrroloquinoline quinone.
Lanthanide-induced conformational change of methanol dehydrogenase involving coordination change of cofactor pyrroloquinoline quinone.
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镧系元素诱导的甲醇脱氢酶构象变化涉及辅因子吡咯喹啉醌的配位变化。
DOI：
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发表时间：
2019
期刊：
影响因子：
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通讯作者：
S. Tsushima
中科院分区：
文献类型：
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作者：
S. Tsushima
镧系元素作为XoxF型甲醇脱氢酶（MDH）的辅因子的作用引起了人们的兴趣。在这里，经典的分子动力学模拟结合片段分子轨道计算，合理化的酶活性MDH（XoxF-和MxaF-型）携带不同的镧系元素。在XoxF型MDH中，发现镧系元素与辅因子吡咯喹啉醌的结合从三齿切换到单齿，因为它从较轻的镧系元素切换到较重的镧系元素。这一事实可能发挥了至关重要的作用，在酶的活性独家XoxF型MDH纳入较轻的镧系元素。
There is emerging interest in the role of lanthanides as cofactors for XoxF-type methanol dehydrogenase (MDH). Here, classical molecular dynamics simulations combined with fragment molecular orbital calculations were employed to rationalize the enzymatic activities of MDH (both XoxF- and MxaF-types) carrying different lanthanides. In XoxF-type MDH, lanthanide binding to cofactor pyrroloquinoline quinone was found to switch from tridentate to unidentate fashion as it switches from lighter to heavier lanthanides. This fact possibly plays a crucial role in the enzymatic activity exclusive to XoxF-type MDH incorporating lighter lanthanides.