Structural changes in the oxygen-evolving complex of photosystem II induced by the S1 to S2 transition: A combined XRD and QM/MM study.

Structural changes in the oxygen-evolving complex of photosystem II induced by the S1 to S2 transition: A combined XRD and QM/MM study.
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S1至S2转变引起的光系统II的氧气发展复合物的结构变化:XRD和QM/MM研究的组合。

DOI:
10.1021/bi5011915
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发表时间:
2014-11-11
期刊:
影响因子:
2.9
通讯作者:
Batista, Victor S.
Batista, Victor S.
中科院分区:
生物学3区
文献类型:
--
作者:
Askerka, Mikhail;Wang, Jimin;Brudvig, Gary W.;Batista, Victor S.

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光系统II的放氧复合物(OEC)的S1 → S2转变不涉及质子向管腔的转移,并且发生在低温下。因此,通常认为仅涉及Mn氧化,而OEC的结构没有任何显著变化。在这里,我们分析的结构变化后,S1 → S2转变,揭示了量子力学/分子力学方法和同构差分傅立叶方法应用于系列飞秒X射线衍射数据。我们发现,在OEC中的主要结构变化是在悬挂的Mn和它的配位环境的位置。
The S1 → S2 transition of the oxygen-evolving complex (OEC) of photosystem II does not involve the transfer of a proton to the lumen and occurs at cryogenic temperatures. Therefore, it is commonly thought to involve only Mn oxidation without any significant change in the structure of the OEC. Here, we analyze structural changes upon the S1 → S2 transition, as revealed by quantum mechanics/molecular mechanics methods and the isomorphous difference Fourier method applied to serial femtosecond X-ray diffraction data. We find that the main structural change in the OEC is in the position of the dangling Mn and its coordination environment.
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期刊: Science (New York, N.Y.)
影响因子: --
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