Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 130, Issue 21, Pages 6728-+Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja801979n
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Funding
- NIGMS NIH HHS [R01 GM043278, R01 GM032715, 2R01-GM043278-14, GM32715, R01 GM032715-16] Funding Source: Medline
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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.
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