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
2012
Bidentate and tridentate metal‐ion coordination states within ternary complexes of RB69 DNA polymerase
Xia S, Eom SH, Konigsberg WH, Wang J. Bidentate and tridentate metal‐ion coordination states within ternary complexes of RB69 DNA polymerase. Protein Science 2012, 21: 447-451. PMID: 22238207, PMCID: PMC3375444, DOI: 10.1002/pro.2026.Peer-Reviewed Original ResearchConceptsCoordination complexesMetal ionsCoordination stateSecond metal ionMetal ion coordinationDivalent metal ionsTernary complexTridentate coordinationBond formationPhosphorus atomActive siteRelevant conformationsStructural studiesSelectivity mechanismIonsTriphosphate tailComplexesRB69 DNA polymeraseÅ resolutionBase selectivityGround stateSubstrate alignmentPolymerase active siteCatalysisCoordination
2011
Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase
Xia S, Wang M, Blaha G, Konigsberg WH, Wang J. Structural Insights into Complete Metal Ion Coordination from Ternary Complexes of B Family RB69 DNA Polymerase. Biochemistry 2011, 50: 9114-9124. PMID: 21923197, PMCID: PMC3760225, DOI: 10.1021/bi201260h.Peer-Reviewed Original ResearchConceptsMetal ionsBond formationHydroxyl groupsCoordination bond lengthsMetal ion coordinationΑ-phosphateB-siteTernary complexMetal ion ACoordination complexesIon coordinationBond lengthsCoordination octahedraIon APhosphorus atomIonic radiusSimultaneous coordinationPhosphodiester bond formationIonsNucleotidyl transferStructural insightsComplexesPyrophosphate product