Structural changes in the oxygen-evolving complex of photosystem II induced by the S1 to S2 transition

A combined XRD and QM/MM study

Mikhail Askerka, Jimin Wang, Gary W Brudvig, Victor S. Batista

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

The S1 → S2 transition of the oxygen-evolving complex (OEC) of photosystem II does not involve the transfer of a proton to the lumen and occurs at cryogenic temperatures. Therefore, it is commonly thought to involve only Mn oxidation without any significant change in the structure of the OEC. Here, we analyze structural changes upon the S1 → S2 transition, as revealed by quantum mechanics/molecular mechanics methods and the isomorphous difference Fourier method applied to serial femtosecond X-ray diffraction data. We find that the main structural change in the OEC is in the position of the dangling Mn and its coordination environment.

Original languageEnglish
Pages (from-to)6860-6862
Number of pages3
JournalBiochemistry
Volume53
Issue number44
DOIs
Publication statusPublished - Nov 11 2014

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Photosystem II Protein Complex
Oxygen
Mechanics
Molecular mechanics
Quantum theory
X-Ray Diffraction
Cryogenics
Protons
X ray diffraction
Oxidation
Temperature

ASJC Scopus subject areas

  • Biochemistry
  • Medicine(all)

Cite this

Structural changes in the oxygen-evolving complex of photosystem II induced by the S1 to S2 transition : A combined XRD and QM/MM study. / Askerka, Mikhail; Wang, Jimin; Brudvig, Gary W; Batista, Victor S.

In: Biochemistry, Vol. 53, No. 44, 11.11.2014, p. 6860-6862.

Research output: Contribution to journalArticle

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