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Title: Structural Changes in the Oxygen-Evolving Complex of Photosystem II Induced by the S 1 to S 2 Transition: A Combined XRD and QM/MM Study

Journal Article · · Biochemistry
DOI:https://doi.org/10.1021/bi5011915· OSTI ID:1163622
 [1];  [2];  [1];  [1]
  1. Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States
  2. Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut 06520-8114, United States
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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. Lastly, we find that the main structural change in the OEC is in the position of the dangling Mn and its coordination environment.

Research Organization:
Yale Univ., New Haven, CT (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
FG0205ER15646; DESC0001423; SC0001423; FG02-05ER15646
OSTI ID:
1163622
Alternate ID(s):
OSTI ID: 1345614
Journal Information:
Biochemistry, Journal Name: Biochemistry Vol. 53 Journal Issue: 44; ISSN 0006-2960
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 37 works
Citation information provided by
Web of Science

References (22)

Evidence that the C-Terminus of the D1 Polypeptide of Photosystem II is Ligated to the Manganese Ion that Undergoes Oxidation During the S 1 to S 2 Transition:  An Isotope-Edited FTIR Study † journal March 2004
Calcium in the oxygen-evolving complex: Structural and mechanistic role determined by X-ray spectroscopy journal July 2011
S 0 -State Model of the Oxygen-Evolving Complex of Photosystem II journal October 2013
Orientations of Carboxylate Groups Coupled to the Mn Cluster in the Photosynthetic Oxygen-Evolving Center As Studied by Polarized ATR-FTIR Spectroscopy journal April 2010
Un Nouveau Modele des Centres Photochimiques du Systeme ii journal November 1969
Cyanobacterial photosystem II at 2.9-Å resolution and the role of quinones, lipids, channels and chloride journal February 2009
Water-Splitting Chemistry of Photosystem II journal November 2006
Substrate water interactions within the Photosystem II oxygen evolving complex journal January 2004
X-ray damage to the Mn4Ca complex in single crystals of photosystem II: A case study for metalloprotein crystallography journal August 2005
Energetics of primary and secondary electron transfer in Photosystem II membrane particles of spinach revisited on basis of recombination-fluorescence measurements journal June 2005
Structure and Function of Photosystems i and ii journal June 2006
Two Interconvertible Structures that Explain the Spectroscopic Properties of the Oxygen-Evolving Complex of Photosystem II in the S 2 State journal August 2012
Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å journal April 2011
Simultaneous Femtosecond X-ray Spectroscopy and Diffraction of Photosystem II at Room Temperature journal February 2013
COOPERATION OF CHARGES IN PHOTOSYNTHETIC O 2 EVOLUTION–I. A LINEAR FOUR STEP MECHANISM journal June 1970
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S 1 -State Model of the O 2 -Evolving Complex of Photosystem II journal July 2011
The manganese complex of photosystem II in its reaction cycle—Basic framework and possible realization at the atomic level journal February 2008
Protein ligation of the photosynthetic oxygen-evolving center journal February 2008
A guide to electron paramagnetic resonance spectroscopy of Photosystem II membranes journal January 1991
Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Å resolution journal February 2001
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