Mechanism of selective halogenation by SyrB2: a computational study.
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Insights into enzymatic halogenation from computational studiesStructural basis for halogenation by iron- and 2-oxo-glutarate-dependent enzyme WelO5Elucidation of the Fe(IV)=O intermediate in the catalytic cycle of the halogenase SyrB2.Evidence that the fosfomycin-producing epoxidase, HppE, is a non-heme-iron peroxidaseIdentification and characterization of the actinomycin G gene cluster in Streptomyces iakyrus.A more reactive trigonal-bipyramidal high-spin oxoiron(IV) complex with a cis-labile site.Experimental Correlation of Substrate Position with Reaction Outcome in the Aliphatic Halogenase, SyrB2.Substrate placement influences reactivity in non-heme Fe(II) halogenases and hydroxylases.Quantum mechanics/molecular mechanics study on the oxygen binding and substrate hydroxylation step in AlkB repair enzymesElectronic structure analysis of the oxygen-activation mechanism by Fe(II)- and α-ketoglutarate (αKG)-dependent dioxygenases.Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs.Enzymatic Halogenation and Dehalogenation Reactions: Pervasive and Mechanistically Diverse.Mono- and binuclear non-heme iron chemistry from a theoretical perspective.Dioxygen activation by nonheme iron enzymes with the 2-His-1-carboxylate facial triad that generate high-valent oxoiron oxidants.Density Functional Calculations for Prediction of 57Fe Mössbauer Isomer Shifts and Quadrupole Splittings in β-Diketiminate Complexes.Vanadyl as a Stable Structural Mimic of Reactive Ferryl Intermediates in Mononuclear Nonheme-Iron Enzymes.Formation and structure of the ferryl [Fe[double bond, length as m-dash]O] intermediate in the non-haem iron halogenase SyrB2: classical and QM/MM modelling agree.Mechanistic insights into dioxygen activation, oxygen atom exchange and substrate epoxidation by AsqJ dioxygenase from quantum mechanical/molecular mechanical calculations.Insight into the structure-function relationship of the nonheme iron halogenases involved in the biosynthesis of 4-chlorothreonine --Thr3 from Streptomyces sp. OH-5093 and SyrB2 from Pseudomonas syringae pv. syringae B301DR.The mechanism of stereospecific C-H oxidation by Fe(Pytacn) complexes: bioinspired non-heme iron catalysts containing cis-labile exchangeable sites.Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2.Correlated wavefunction methods in bioinorganic chemistryDoes Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?
P2860
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P2860
Mechanism of selective halogenation by SyrB2: a computational study.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
2010年论文
@zh
2010年论文
@zh-cn
name
Mechanism of selective halogenation by SyrB2: a computational study.
@en
Mechanism of selective halogenation by SyrB2: a computational study.
@nl
type
label
Mechanism of selective halogenation by SyrB2: a computational study.
@en
Mechanism of selective halogenation by SyrB2: a computational study.
@nl
prefLabel
Mechanism of selective halogenation by SyrB2: a computational study.
@en
Mechanism of selective halogenation by SyrB2: a computational study.
@nl
P2093
P356
P1476
Mechanism of selective halogenation by SyrB2: a computational study
@en
P2093
Holger Noack
Konrad Zych
Per E M Siegbahn
P304
12887-12898
P356
10.1021/JA101877A
P407
P577
2010-09-01T00:00:00Z