基于扩展X射线吸收精细结构（EXAFS）模拟的结构精修所预测的光系统II放氧中心模型。
A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations.
作者信息
Sproviero Eduardo M, Gascón José A, McEvoy James P, Brudvig Gary W, Batista Victor S
机构信息
Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
出版信息
J Am Chem Soc. 2008 May 28;130(21):6728-30. doi: 10.1021/ja801979n. Epub 2008 May 6.
Abstract
A refined computational structural model of the oxygen-evolving complex (OEC) of photosystem II (PSII) is introduced. The model shows that the cuboidal core Mn3CaO4 with a "dangler" Mn ligated to a corner mu4-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.
摘要
介绍了一种光系统II（PSII）放氧复合体（OEC）的精确计算结构模型。该模型表明，具有与一个角μ4-氧化物离子相连的“悬垂”锰的立方核心Mn3CaO4与金属簇周围氨基酸的定位最大程度一致，这是由XRD模型和高分辨率光谱数据表征的，包括取向单晶的偏振扩展X射线吸收精细结构（EXAFS）和各向同性EXAFS。因此，自然而然地可以预期，所提出的结构模型对于与高分辨率光谱数据一致地确定OEC的结构，以及阐明PSII中沿催化循环的放氧复合体（OEC）中间氧化态所描述的水分解机制将特别有用。
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