ArticleJournal of the American Chemical Society2008
A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations.
Article in Journal of the American Chemical Society, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed.
- The Low Oxidation State Paradigm is More Consistent with XFEL Observations of the S₃ → [S₄] → S₀ Transition in Photosystem II.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Insights from CaPhotosynthesis research · 2024Review
- A Theoretical Study of the Recently Suggested MnThe journal of physical chemistry. A · 2020Article
- Nucleophilic water attack is not a possible mechanism for O-O bond formation in photosystem II.Proceedings of the National Academy of Sciences of the United States of America · 2017Article
- Influence of iron doping on tetravalent nickel content in catalytic oxygen evolving films.Proceedings of the National Academy of Sciences of the United States of America · 2017Article
- Radiation Damage in XFEL: Case study from the oxygen-evolving complex of Photosystem II.Scientific reports · 2016Article
- The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes.Methods in enzymology · 2016Review
- Metal oxidation states in biological water splitting.Chemical science · 2015Article
- Electrostatic effects on proton coupled electron transfer in oxomanganese complexes inspired by the oxygen-evolving complex of photosystem II.The journal of physical chemistry. B · 2013Article
- Oxomanganese complexes for natural and artificial photosynthesis.Current opinion in chemical biology · 2012Review
- S1-state model of the O2-evolving complex of photosystem II.Biochemistry · 2011Article
- Thermodynamic limitations of photosynthetic water oxidation at high proton concentrations.The Journal of biological chemistry · 2011Article
- Crystal structure of monomeric photosystem II from Thermosynechococcus elongatus at 3.6-a resolution.The Journal of biological chemistry · 2010Article
- Study of Proton Coupled Electron Transfer in a Biomimetic Dimanganese Water Oxidation Catalyst with Terminal Water Ligands.Journal of chemical theory and computation · 2010Article
- Activation of a water molecule using a mononuclear Mn complex: from Mn-aquo, to Mn-hydroxo, to Mn-oxylEnergy & environmental science · 2010Article
- Energy conversion in natural and artificial photosynthesis.Chemistry & biology · 2010Review
- Characterization of proton coupled electron transfer in a biomimetic oxomanganese complex: Evaluation of the DFT B3LYP level of theory.Journal of chemical theory and computation · 2010Article
- Computational insights into the O2-evolving complex of photosystem II.Photosynthesis research · 2008Review
- Proton-coupled electron transfer.Chemical reviews · 2007Review
- The MoD-QM/MM methodology for structural refinement of photosystem II and other biological macromolecules.Photosynthesis researchReview
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Authors and funding
5 authors.
Funding
Abstract
A refined computational structural model of the oxygen-evolving complex (OEC) of photosystem II (PSII) is introduced. The model shows that the cuboidal core Mn3CaO4 with a "dangler" Mn ligated to a corner mu4-oxide ion is maximally consistent with the positioning of the amino acids around the metal cluster as characterized by XRD models and high-resolution spectroscopic data, including polarized EXAFS of oriented single crystals and isotropic EXAFS. It is, therefore, natural to expect that the proposed structural model should be particularly useful to establish the structure of the OEC, consistently with high-resolution spectroscopic data, and for elucidating the mechanism of water-splitting in PSII as described by the intermediate oxidation states of the EC along the catalytic cycle.
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