A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS Simulations
A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS Simulations
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DOI：
10.1021/ja801979n
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发表时间：
2008-05-28
影响因子：
15
通讯作者：
Batista, Victor S.
中科院分区：
文献类型：
--
作者：
Sproviero, Eduardo M.;Gascon, Jose A.;Batista, Victor S.
介绍了光系统II（PSII）放氧复合物（CEC）的精细计算结构模型。该模型表明，立方核Mn 3CaO 4与一个“悬挂”锰连接到一个角落μ（4）-氧化物离子是最大限度地符合周围的金属簇的氨基酸的定位，其特征在于XRD模型和高分辨率光谱数据，包括偏振EXAFS取向单晶和各向同性EXAFS。因此，很自然地期望，所提出的结构模型应该是特别有用的，以建立结构的OEC，一致的高分辨率光谱数据，并阐明的机制，水分解PSII所描述的中间氧化态的EC沿着催化循环。
A refined computational structural model of the oxygen-evolving complex (CEC) of photosystem II (PSII) is introduced. The model shows that the cuboidal core Mn3CaO4 with a "dangler" Mn ligated to a corner mu(4)-oxide ion is maximally consistent with the positioning of the amino acids around the metal cluster as characterized by XRD models and high-resolution spectroscopic data, including polarized EXAFS of oriented single crystals and isotropic EXAFS. It is, therefore, natural to expect that the proposed structural model should be particularly useful to establish the structure of the OEC, consistently with high-resolution spectroscopic data, and for elucidating the mechanism of water-splitting in PSII as described by the intermediate oxidation states of the EC along the catalytic cycle.