2013
Water oxidation chemistry of photosystem II
Brudvig G. Water oxidation chemistry of photosystem II. The FASEB Journal 2013, 27: 98.1-98.1. DOI: 10.1096/fasebj.27.1_supplement.98.1.Peer-Reviewed Original ResearchOxygen-evolving complexWater oxidation chemistryOxidation chemistryCrystal structurePhotosystem IISubstrate water moleculesRedox-active tyrosinesX-ray crystal structureFour-electron oxidationIntermediate oxidation statesSolar fuel productionSignificant side reactionsSpecific redox stateCyanobacterial photosystem IIDesign of materialsInorganic chemistryX-ray crystallographic informationRedox stateOxidation stateWater moleculesCatalytic cycleENDOR spectroscopySide reactionsChemical problemsSpectroscopic data
2008
Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II
Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II. Journal Of The American Chemical Society 2008, 130: 3428-3442. PMID: 18290643, DOI: 10.1021/ja076130q.Peer-Reviewed Original ResearchConceptsSubstrate water moleculesWater moleculesMu-oxo bridgeOxygen-evolving complexWater splittingQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsQuantum Mechanics/Molecular Mechanics StudySolar fuel production systemsPhotosystem IIX-ray diffraction structureMolecular mechanics studySecond coordination shellCyanobacterium Thermosynechococcus elongatusOxomanganese clusterDioxygen evolutionTerminal ligandsXRD structureCatalytic clustersCP43-R357Ligand exchangeCatalytic reactionCatalytic cycleReaction intermediatesS0 stateNucleophilic attack
2004
Structure-based mechanism of photosynthetic water oxidation
McEvoy J, Brudvig G. Structure-based mechanism of photosynthetic water oxidation. Physical Chemistry Chemical Physics 2004, 6: 4754-4763. DOI: 10.1039/b407500e.Peer-Reviewed Original ResearchOxygen-evolving complexO bond-forming stepSubstrate water moleculesX-ray crystal structureBond-forming stepPhotosynthetic water oxidationWater splitting reactionResolution X-ray crystal structureCyanobacterial photosystem IIÅ resolution X-ray crystal structureCP43-Arg357Water oxidationStructure-based mechanismWater moleculesCertain amino acid residuesAmino acid residuesCrystal structureMechanistic functionPhotosystem IIArginine residuesCrystallographic informationLends weightResiduesNucleophilesOxidation
2001
Quantifying the Ion Selectivity of the Ca2+ Site in Photosystem II: Evidence for Direct Involvement of Ca2+ in O2 Formation †
Vrettos J, Stone D, Brudvig G. Quantifying the Ion Selectivity of the Ca2+ Site in Photosystem II: Evidence for Direct Involvement of Ca2+ in O2 Formation †. Biochemistry 2001, 40: 7937-7945. PMID: 11425322, DOI: 10.1021/bi010679z.Peer-Reviewed Original ResearchConceptsOxygen-evolving complexTrivalent metal ionsMetal ionsPSII samplesPhotosystem IISubstrate water moleculesSmall metal ionsO2 evolutionSteady-state enzyme kineticsWater oxidationAqua ionsWater moleculesLewis acidO2 formationIonic radiusIon selectivityKcal/Monovalent ionsIonsExtrinsic polypeptidesFree energyEnzyme kineticsStructural cofactorSr2Activity measurements
1999
A mechanistic and structural model for the formation and reactivity of a MnV[double bond, length half m-dash]O species in photosynthetic water oxidation
Limburg J, Szalai V, Brudvig G. A mechanistic and structural model for the formation and reactivity of a MnV[double bond, length half m-dash]O species in photosynthetic water oxidation. Dalton Transactions 1999, 0: 1353-1362. DOI: 10.1039/a807583b.Peer-Reviewed Original ResearchProtein complex photosystem IIPhotosynthetic water oxidationWater oxidationMn4 clusterModel complexesO bond-forming stepO bond-forming reactionsRedox-active tyrosine residueSubstrate water moleculesBond-forming reactionsO bond formationBond-forming stepHydrogen bond networkTetranuclear Mn clusterElectrophilic oxygen atomHydroxide ligandMnO speciesOrganic oxidationLength halfWater moleculesObserved reactivityBond formationNucleophilic attackOxygen atomsKey intermediate