2024
An analysis of the structural changes of the oxygen evolving complex of Photosystem II in the S1 and S3 states revealed by serial femtosecond crystallography
Yehia S, Wang J, Brudvig G, Gunner M, Brooks B, Amin M. An analysis of the structural changes of the oxygen evolving complex of Photosystem II in the S1 and S3 states revealed by serial femtosecond crystallography. Biochimica Et Biophysica Acta (BBA) - Bioenergetics 2024, 1866: 149531. PMID: 39694218, DOI: 10.1016/j.bbabio.2024.149531.Peer-Reviewed Original ResearchX-ray crystallographyMn coordinationReaction mechanismEfficient solar energy conversionFemtosecond X-ray crystallographyWater splitting reactionX-raySolar energy conversionElectronic structure changesCoordination chemistrySplitting reactionOxygen-evolving complexArtificial catalystsReaction intermediatesPhotosystem IICatalytic intermediatesWater moleculesOxidation stateFemtosecond crystallographyUltra-short laser pulsesOxidation intermediatesCrystallographyS3 stateStructural changesNatural catalystsPhotosystem II: light‐dependent oscillation of ligand composition at its active site
Wang J. Photosystem II: light‐dependent oscillation of ligand composition at its active site. Acta Crystallographica Section D, Structural Biology 2024, 80: 850-861. PMID: 39607822, DOI: 10.1107/s2059798324011392.Peer-Reviewed Original ResearchOccupancy Analysis of Water Molecules inside Channels within 25 Å Radius of the Oxygen-Evolving Center of Photosystem II in Molecular Dynamics Simulations
Kaur D, Reiss K, Wang J, Batista V, Brudvig G, Gunner M. Occupancy Analysis of Water Molecules inside Channels within 25 Å Radius of the Oxygen-Evolving Center of Photosystem II in Molecular Dynamics Simulations. The Journal Of Physical Chemistry B 2024, 128: 2236-2248. PMID: 38377592, DOI: 10.1021/acs.jpcb.3c05367.Peer-Reviewed Original ResearchOxygen-evolving centerWater moleculesPhotosystem IIPositions of water moleculesAnalysis of water moleculesCatalyze water oxidationHydrogen bond networkOccupancy of water moleculesMolecular dynamics simulationsD1-D61Electron density mapsMolecular dynamics analysisProton transferWater oxidationCrystallographic dataIce latticeMD simulationsMolecular dynamicsStructural transitionDynamics simulationsSubstrate waterOxygen-evolvingRoom temperatureProtein residuesMolecules
2021
Do crystallographic XFEL data support binding of a water molecule to the oxygen-evolving complex of photosystem II exposed to two flashes of light?
Wang J, Armstrong WH, Batista VS. Do crystallographic XFEL data support binding of a water molecule to the oxygen-evolving complex of photosystem II exposed to two flashes of light? Proceedings Of The National Academy Of Sciences Of The United States Of America 2021, 118: e2023982118. PMID: 34117119, PMCID: PMC8214663, DOI: 10.1073/pnas.2023982118.Peer-Reviewed Original Research
2017
Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II
Wang J, Askerka M, Brudvig GW, Batista VS. Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II. ACS Energy Letters 2017, 2: 2299-2306. PMID: 29057331, PMCID: PMC5644713, DOI: 10.1021/acsenergylett.7b00750.Peer-Reviewed Original ResearchOxygen-evolving complexWater ligandsQuantum mechanics/molecular mechanics analysisO bond formationPhotosystem IINew water moleculeMolecular mechanics analysisBiomimetic photocatalytic systemsDifference Fourier mapsWater moleculesPhotocatalytic cyclesCatalytic cycleSubstrate waterMn centersBond formationPhotocatalytic systemCrystallographic dataXFEL dataFourier mapsStructure-function relationsLigandsÅ resolutionComplexesNature of rearrangementsWater
2016
Different Divalent Cations Alter the Kinetics and Fidelity of DNA Polymerases*
Vashishtha AK, Wang J, Konigsberg WH. Different Divalent Cations Alter the Kinetics and Fidelity of DNA Polymerases*. Journal Of Biological Chemistry 2016, 291: 20869-20875. PMID: 27462081, PMCID: PMC5076500, DOI: 10.1074/jbc.r116.742494.Peer-Reviewed Original ResearchConceptsMetal ionsWater moleculesTransfer reactionsDifferent divalent cationsOctahedral coordination geometryB metal ionsThird metal ionDifferent metal ionsAttacking water moleculeDivalent metal ionsNucleotidyl transfer reactionPhosphoryl transfer reactionsNon-bridging oxygen atomsOctahedral complexesCoordination geometryCarboxyl oxygenDivalent cationsOxygen atomsSixth ligandHydroxyl groupsTransition stateEffective nucleophilePhosphorous atomsIonsB-site