A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations

Eduardo M. Sproviero, José A. Gascón, James P. McEvoy, Gary W Brudvig, Victor S. Batista

Research output: Contribution to journalArticle

106 Citations (Scopus)

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 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.

Original languageEnglish
Pages (from-to)6728-6730
Number of pages3
JournalJournal of the American Chemical Society
Volume130
Issue number21
DOIs
Publication statusPublished - May 28 2008

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Photosystem II Protein Complex
Structural Models
Oxygen
Oxides
Metals
Ions
Amino Acids
Water
Amino acids
Single crystals
Oxidation

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations. / Sproviero, Eduardo M.; Gascón, José A.; McEvoy, James P.; Brudvig, Gary W; Batista, Victor S.

In: Journal of the American Chemical Society, Vol. 130, No. 21, 28.05.2008, p. 6728-6730.

Research output: Contribution to journalArticle

Sproviero, Eduardo M. ; Gascón, José A. ; McEvoy, James P. ; Brudvig, Gary W ; Batista, Victor S. / A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations. In: Journal of the American Chemical Society. 2008 ; Vol. 130, No. 21. pp. 6728-6730.
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