S 1-state model of the O 2-evolving complex of photosystem II

Sandra Luber, Ivan Rivalta, Yasufumi Umena, Keisuke Kawakami, Jian Ren Shen, Nobuo Kamiya, Gary W Brudvig, Victor S. Batista

Research output: Contribution to journalArticle

159 Citations (Scopus)

Abstract

We introduce a quantum mechanics/molecular mechanics model of the oxygen-evolving complex of photosystem II in the S 1 Mn 4(IV,III,IV,III) state, where Ca 2+ is bridged to manganese centers by the carboxylate moieties of D170 and A344 on the basis of the new X-ray diffraction (XRD) model recently reported at 1.9 Å resolution. The model is also consistent with high-resolution spectroscopic data, including polarized extended X-ray absorption fine structure data of oriented single crystals. Our results provide refined intermetallic distances within the Mn cluster and suggest that the XRD model most likely corresponds to a mixture of oxidation states, including species more reduced than those observed in the catalytic cycle of water splitting.

Original languageEnglish
Pages (from-to)6308-6311
Number of pages4
JournalBiochemistry
Volume50
Issue number29
DOIs
Publication statusPublished - Jul 26 2011

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Photosystem II Protein Complex
Mechanics
X-Ray Diffraction
Water Cycle
Molecular Models
Manganese
X-Rays
Oxygen
X ray diffraction
Molecular mechanics
Quantum theory
X ray absorption
Intermetallics
Single crystals
Oxidation
Water

ASJC Scopus subject areas

  • Biochemistry

Cite this

Luber, S., Rivalta, I., Umena, Y., Kawakami, K., Shen, J. R., Kamiya, N., ... Batista, V. S. (2011). S 1-state model of the O 2-evolving complex of photosystem II. Biochemistry, 50(29), 6308-6311. https://doi.org/10.1021/bi200681q

S 1-state model of the O 2-evolving complex of photosystem II. / Luber, Sandra; Rivalta, Ivan; Umena, Yasufumi; Kawakami, Keisuke; Shen, Jian Ren; Kamiya, Nobuo; Brudvig, Gary W; Batista, Victor S.

In: Biochemistry, Vol. 50, No. 29, 26.07.2011, p. 6308-6311.

Research output: Contribution to journalArticle

Luber, S, Rivalta, I, Umena, Y, Kawakami, K, Shen, JR, Kamiya, N, Brudvig, GW & Batista, VS 2011, 'S 1-state model of the O 2-evolving complex of photosystem II', Biochemistry, vol. 50, no. 29, pp. 6308-6311. https://doi.org/10.1021/bi200681q
Luber S, Rivalta I, Umena Y, Kawakami K, Shen JR, Kamiya N et al. S 1-state model of the O 2-evolving complex of photosystem II. Biochemistry. 2011 Jul 26;50(29):6308-6311. https://doi.org/10.1021/bi200681q
Luber, Sandra ; Rivalta, Ivan ; Umena, Yasufumi ; Kawakami, Keisuke ; Shen, Jian Ren ; Kamiya, Nobuo ; Brudvig, Gary W ; Batista, Victor S. / S 1-state model of the O 2-evolving complex of photosystem II. In: Biochemistry. 2011 ; Vol. 50, No. 29. pp. 6308-6311.
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