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

doi:10.1021/bi200681q

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 journal › Article

172 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 language	English
Pages (from-to)	6308-6311
Number of pages	4
Journal	Biochemistry
Volume	50
Issue number	29
DOIs	https://doi.org/10.1021/bi200681q
Publication status	Published - Jul 26 2011

ASJC Scopus subject areas

Biochemistry

Access to Document

10.1021/bi200681q

Fingerprint Dive into the research topics of 'S <sub>1</sub>-state model of the O <sub>2</sub>-evolving complex of photosystem II'. Together they form a unique fingerprint.

Cite this

Luber, S., Rivalta, I., Umena, Y., Kawakami, K., Shen, J. R., Kamiya, N., Brudvig, G. W., & 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

@article{9666782e82664962aa90e064d41eee7a,

title = "S 1-state model of the O 2-evolving complex of photosystem II",

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 {\AA} 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.",

author = "Sandra Luber and Ivan Rivalta and Yasufumi Umena and Keisuke Kawakami and Shen, {Jian Ren} and Nobuo Kamiya and Brudvig, {Gary W.} and Batista, {Victor S.}",

year = "2011",

month = jul,

day = "26",

doi = "10.1021/bi200681q",

language = "English",

volume = "50",

pages = "6308--6311",

journal = "Biochemistry",

issn = "0006-2960",

publisher = "American Chemical Society",

number = "29",

}

TY - JOUR

T1 - S 1-state model of the O 2-evolving complex of photosystem II

AU - Luber, Sandra

AU - Rivalta, Ivan

AU - Umena, Yasufumi

AU - Kawakami, Keisuke

AU - Shen, Jian Ren

AU - Kamiya, Nobuo

AU - Brudvig, Gary W.

AU - Batista, Victor S.

PY - 2011/7/26

Y1 - 2011/7/26

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=79960499719&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=79960499719&partnerID=8YFLogxK

U2 - 10.1021/bi200681q

DO - 10.1021/bi200681q

M3 - Article

C2 - 21678908

AN - SCOPUS:79960499719

VL - 50

SP - 6308

EP - 6311

JO - Biochemistry

JF - Biochemistry

SN - 0006-2960

IS - 29

ER -