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Water oxidation mechanism in photosystem II, including oxidations, proton release pathways, O-O bond formation and O-2 release
Stockholm University, Faculty of Science, Department of Physics. Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics.
2013 (English)In: Biochimica et Biophysica Acta - Bioenergetics, ISSN 0005-2728, E-ISSN 1879-2650, Vol. 1827, no 8-9, 1003-1019 p.Article in journal (Refereed) Published
Abstract [en]

The present status of DFT studies on water oxidation in photosystem Ills described. It is argued that a full understanding of all steps is close. In each S-transition, the manganese that is oxidized and the proton released are strongly implicated, and structures of all intermediates have been determined. For the S-2-state, recent important experimental findings support key elements of the structure and the mechanism. In this mechanism, the O-O bond is formed between an oxyl radical in the center of the cluster and an Mn-bridging mu-oxo ligand, which was suggested already in 2006. The DFT structure of the oxygen evolving complex, suggested in 2008, is very similar to the recent high-resolution X-ray structure. Some new aspects of the interaction between P-680 and the OEC are suggested. This article is part of a Special Issue entitled: Metals in Bioenergetics and Biomimetics Systems.

Place, publisher, year, edition, pages
2013. Vol. 1827, no 8-9, 1003-1019 p.
Keyword [en]
Density functional theory, Photosystem II, Oxygen evolving complex, O-O bond formation, Energy diagrams, Transition states
National Category
Biochemistry and Molecular Biology
URN: urn:nbn:se:su:diva-93300DOI: 10.1016/j.bbabio.2012.10.006ISI: 000322414300012OAI: diva2:646119


Available from: 2013-09-06 Created: 2013-09-06 Last updated: 2013-09-06Bibliographically approved

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Siegbahn, Per E. M.
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Department of PhysicsDepartment of Biochemistry and Biophysics
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