Structural Changes in the Oxygen-Evolving Complex of Photosystem II Induced by the S1 to S2 Transition: A Combined XRD and QM/MM Study | Zendy

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

Open Access

Structural Changes in the Oxygen-Evolving Complex of Photosystem II Induced by the S₁ to S₂ Transition: A Combined XRD and QM/MM Study

Author(s) -

Mikhail Askerka,

Jimin Wang,

Gary W. Brudvig,

Víctor S. Batista

Publication year - 2014

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/bi5011915

Subject(s) - photosystem ii , oxygen evolving complex , femtosecond , crystallography , chemistry , diffraction , oxygen , chemical physics , position (finance) , transition (genetics) , materials science , physics , laser , photosynthesis , quantum mechanics , biochemistry , organic chemistry , finance , economics , gene

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.

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