A Model of the Oxygen-Evolving Center of Photosystem II Predicted by Structural Refinement Based on EXAFS Simulations

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• 作者：Eduardo M. Sproviero ; José ; A. Gascó ; n ; James P. McEvoy ; Gary W. Brudvig ; Victor S. Batista
• 刊名：Journal of the American Chemical Society
• 出版年：2008
• 出版时间：May 28, 2008
• 年：2008
• 卷：130
• 期：21
• 页码：6728 - 6730
• 全文大小：901K
• 年卷期：v.130,no.21(May 28, 2008)
• ISSN：1520-5126

文摘

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 µ₄-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.