S3 State of the O2-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction | Zendy

Mikhail Askerka | Zendy; Jimin Wang | Zendy; David J. Vinyard | Zendy; Gary W. Brudvig | Zendy; Víctor S. Batista | Zendy

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S₃ State of the O₂-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction

Author(s) -

Mikhail Askerka,

Jimin Wang,

David J. Vinyard,

Gary W. Brudvig,

Víctor S. Batista

Publication year - 2016

Publication title -

biochemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.43

H-Index - 253

eISSN - 1520-4995

pISSN - 0006-2960

DOI - 10.1021/acs.biochem.6b00041

Subject(s) - extended x ray absorption fine structure , oxygen evolving complex , photosystem ii , chemistry , electron paramagnetic resonance , crystallography , absorption (acoustics) , femtosecond , absorption spectroscopy , materials science , nuclear magnetic resonance , physics , photosynthesis , laser , optics , biochemistry , composite material

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.

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