Thermodynamics of the S2-to-S3 state transition of the oxygen-evolving complex of photosystem II

Author:

Amin Muhamed12345ORCID,Kaur Divya678910,Yang Ke R.111210,Wang Jimin13141210,Mohamed Zainab15161718,Brudvig Gary W.111210ORCID,Gunner M. R.678910,Batista Victor111210

Affiliation:

1. Center for Free-Electron Laser Science

2. Deutsches Elektronen-Synchrotron DESY

3. 22607 Hamburg

4. Germany

5. Department of Sciences

6. Department of Physics

7. City College of New York

8. 160 Convent Avenue

9. New York

10. USA

11. Department of Chemistry, Yale University

12. New Haven

13. Department of Molecular Biophysics and Biochemistry

14. Yale University

15. Zewail City of Science and Technology

16. Sheikh Zayed

17. 12588 Giza

18. Egypt

Abstract

The S2 to S3 transition in the OEC of PSII changes the structure of the Mn cluster. Monte Carlo sampling finds a Ca terminal water moves to form a bridge to Mn4 and the Mn1 ligand E189 can be replaced with a hydroxyl as a proton is lost.

Funder

Basic Energy Sciences

European Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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