S0-State Model of the Oxygen-Evolving Complex of Photosystem II
Biochemistry2013Vol. 52(44), pp. 7703–7706
Citations Over TimeTop 10% of 2013 papers
Rhitankar Pal, Christian F. A. Negre, Leslie Vogt-Maranto, Ravi Pokhrel, Mehmed Z. Ertem, Gary W. Brudvig, Víctor S. Batista
Abstract
The S0 → S1 transition of the oxygen-evolving complex (OEC) of photosystem II is one of the least understood steps in the Kok cycle of water splitting. We introduce a quantum mechanics/molecular mechanics (QM/MM) model of the S0 state that is consistent with extended X-ray absorption fine structure spectroscopy and X-ray diffraction data. In conjunction with the QM/MM model of the S1 state, we address the proton-coupled electron-transfer (PCET) process that occurs during the S0 → S1 transition, where oxidation of a Mn center and deprotonation of a μ-oxo bridge lead to a significant rearrangement in the OEC. A hydrogen bonding network, linking the D1-D61 residue to a Mn-bound water molecule, is proposed to facilitate the PCET mechanism.
Related Papers
- → Hierarchical NiCo2O4 Hollow Microcuboids as Bifunctional Electrocatalysts for Overall Water‐Splitting(2016)869 cited
- → Single Atoms and Clusters Based Nanomaterials for Hydrogen Evolution, Oxygen Evolution Reactions, and Full Water Splitting(2019)777 cited
- → Hierarchical NiCo2O4 Hollow Microcuboids as Bifunctional Electrocatalysts for Overall Water‐Splitting(2016)631 cited
- → Trimetallic oxyhydroxides as active sites for large-current-density alkaline oxygen evolution and overall water splitting(2021)139 cited
- → Elucidation of a multiple S3 intermediates model for water oxidation in the oxygen evolving complex of photosystem II. Calcium-assisted concerted O O bond formation(2022)10 cited