ArticleNature communications2015
Energetics of proton release on the first oxidation step in the water-oxidizing enzyme.
Article in Nature communications, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 46 papers.
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Who cites it
46 citing papers in PubMed, 134 citations in OpenAlex.
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- Photosystem II: commonality and diversity with emphasis on the extrinsic subunits.Plant & cell physiology · 2025Review
- Current perspectives on proton and electron transfer pathways in photosystem II water oxidation.Plant & cell physiology · 2025Review
- Revisiting the Proposed Protonated Water Cluster at the Exit Site of the Proton Transfer Pathway in Bacteriorhodopsin.The journal of physical chemistry. B · 2025Article
- Proton Transfer through a Charged Conduit in Respiratory Complex I: Long-Range Effects and Conformational Gating.Journal of chemical information and modeling · 2025Article
- Distinct Protochromic Mechanisms Driving Green/Red Absorption in Phycocyanobilin-Binding Proteins.Biochemistry · 2025Article
- Electron Transfer Mechanism from the Oxygen-Evolving Complex to the Electron-Acceptor Tyrosine during the SACS omega · 2025Article
- Photosystem II: Probing Protons and Breaking Barriers.Biochemistry · 2025Review
- Mechanism of proton release during water oxidation in Photosystem II.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Theoretical elucidation of the structure, bonding, and reactivity of the CaMnPhotosynthesis research · 2024Review
- Closing Kok's cycle of nature's water oxidation catalysis.Nature communications · 2024Article
- The Effect of Removal of External Proteins PsbO, PsbP and PsbQ on Flash-Induced Molecular Oxygen Evolution and Its Biphasicity in Tobacco PSII.Current issues in molecular biology · 2024Article
- Energetics of the H-Bond Network inBiochemistry · 2024Article
- Exploring the Deprotonation Process during Incorporation of a Ligand Water Molecule at the Dangling Mn Site in Photosystem II.The journal of physical chemistry. B · 2024Article
- Interplay of two low-barrier hydrogen bonds in long-distance proton-coupled electron transfer for water oxidation.PNAS nexus · 2023Article
- Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy.Journal of the American Chemical Society · 2023Article
- Evolutionary diversity of proton and water channels on the oxidizing side of photosystem II and their relevance to function.Photosynthesis research · 2023Review
- Structural and energetic insights into Mn-to-Fe substitution in the oxygen-evolving complex.iScience · 2023Article
- pH-Dependent Binding and Releasing Mechanism of Acetate in the Inner Water Cavity of Heliorhodopsin.Biochemistry · 2023Article
- Water Networks in Photosystem II Using Crystalline Molecular Dynamics Simulations and Room-Temperature XFEL Serial Crystallography.Journal of the American Chemical Society · 2023Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 2 countries.
Funding
Abstract
In photosystem II (PSII), the Mn4CaO5 cluster catalyses the water splitting reaction. The crystal structure of PSII shows the presence of a hydrogen-bonded water molecule directly linked to O4. Here we show the detailed properties of the H-bonds associated with the Mn4CaO5 cluster using a quantum mechanical/molecular mechanical approach. When O4 is taken as a μ-hydroxo bridge acting as a hydrogen-bond donor to water539 (W539), the S0 redox state best describes the unusually short O4-OW539 distance (2.5 Å) seen in the crystal structure. We find that in S1, O4 easily releases the proton into a chain of eight strongly hydrogen-bonded water molecules. The corresponding hydrogen-bond network is absent for O5 in S1. The present study suggests that the O4-water chain could facilitate the initial deprotonation event in PSII. This unexpected insight is likely to be of real relevance to mechanistic models for water oxidation.
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