S3 State of the O2-Evolving Complex of Photosystem II

Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction

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

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

The oxygen-evolving complex (OEC) of photosystem II has been studied in the S3 state by electron paramagnetic resonance, extended X-ray absorption fine structure (EXAFS), and femtosecond X-ray diffraction (XRD). However, the actual structure of the OEC in the S3 state has yet to be established. Here, we apply hybrid quantum mechanics/molecular mechanics methods and propose a structural model that is consistent with EXAFS and XRD. The model supports binding of water ligands to the cluster in the S2 → S3 transition through a carousel rearrangement around Mn4, inspired by studies of ammonia binding.

Original languageEnglish
Pages (from-to)981-984
Number of pages4
JournalBiochemistry
Volume55
Issue number7
DOIs
Publication statusPublished - Mar 1 2016

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Photosystem II Protein Complex
X ray absorption
Mechanics
X-Ray Diffraction
X-Rays
Oxygen
X ray diffraction
Molecular mechanics
Quantum theory
Structural Models
Electron Spin Resonance Spectroscopy
Ammonia
Paramagnetic resonance
Ligands
Water

ASJC Scopus subject areas

  • Biochemistry

Cite this

S3 State of the O2-Evolving Complex of Photosystem II : Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction. / Askerka, Mikhail; Wang, Jimin; Vinyard, David J.; Brudvig, Gary W; Batista, Victor S.

In: Biochemistry, Vol. 55, No. 7, 01.03.2016, p. 981-984.

Research output: Contribution to journalArticle

Askerka, Mikhail ; Wang, Jimin ; Vinyard, David J. ; Brudvig, Gary W ; Batista, Victor S. / S3 State of the O2-Evolving Complex of Photosystem II : Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction. In: Biochemistry. 2016 ; Vol. 55, No. 7. pp. 981-984.
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