Does Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?
出版年份 2018 全文链接
标题
Does Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?
作者
关键词
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出版物
Frontiers in Chemistry
Volume 6, Issue -, Pages -
出版商
Frontiers Media SA
发表日期
2018-10-30
DOI
10.3389/fchem.2018.00513
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Group Transfer to an Aliphatic Bond: A Biomimetic Study Inspired by Nonheme Iron Halogenases
- (2018) Amy Timmins et al. ACS Catalysis
- A Comparative Review on the Catalytic Mechanism of Nonheme Iron Hydroxylases and Halogenases
- (2018) Amy Timmins et al. Catalysts
- Editorial: Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems – Recent Developments and Advanced Applications
- (2018) Thomas S. Hofer et al. Frontiers in Chemistry
- Atom Tunneling in the Hydroxylation Process of Taurine/α-Ketoglutarate Dioxygenase Identified by Quantum Mechanics/Molecular Mechanics Simulations
- (2017) Sonia Álvarez-Barcia et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Keto–Enol Tautomerization Triggers an Electrophilic Aldehyde Deformylation Reaction by a Nonheme Manganese(III)-Peroxo Complex
- (2017) Fabián G. Cantú Reinhard et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2
- (2017) Martin Srnec et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Sulfoxide Synthase versus Cysteine Dioxygenase Reactivity in a Nonheme Iron Enzyme
- (2017) Abayomi S. Faponle et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Understanding How Prolyl-4-hydroxylase Structure Steers a Ferryl Oxidant toward Scission of a Strong C–H Bond
- (2017) Amy Timmins et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- How Are Substrate Binding and Catalysis Affected by Mutating Glu127 and Arg161 in Prolyl-4-hydroxylase? A QM/MM and MD Study
- (2017) Amy Timmins et al. Frontiers in Chemistry
- Specific Enzymatic Halogenation-From the Discovery of Halogenated Enzymes to Their Applications In Vitro and In Vivo
- (2016) Veit Weichold et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Deformylation Reaction by a Nonheme Manganese(III)-Peroxo Complex via Initial Hydrogen-Atom Abstraction
- (2016) Prasenjit Barman et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Hydroxylation versus Halogenation of Aliphatic C−H Bonds by a Dioxygen-Derived Iron-Oxygen Oxidant: Functional Mimicking of Iron Halogenases
- (2016) Sayanti Chatterjee et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- An iron–oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase
- (2016) E. P. Tchesnokov et al. CHEMICAL COMMUNICATIONS
- Origin of the Regioselective Fatty-Acid Hydroxylation versus Decarboxylation by a Cytochrome P450 Peroxygenase: What Drives the Reaction to Biofuel Production?
- (2016) Abayomi S. Faponle et al. CHEMISTRY-A EUROPEAN JOURNAL
- A Systematic Account on Aromatic Hydroxylation by a Cytochrome P450 Model Compound I: A Low-Pressure Mass Spectrometry and Computational Study
- (2016) Fabián G. Cantú Reinhard et al. CHEMISTRY-A EUROPEAN JOURNAL
- Is It Fe(III)-Oxyl Radical That Abstracts Hydrogen in the C–H Activation of TauD? A Theoretical Study Based on the DFT Potential Energy Surfaces
- (2016) Binh Khanh Mai et al. INORGANIC CHEMISTRY
- Influence of Ligand Architecture in Tuning Reaction Bifurcation Pathways for Chlorite Oxidation by Non-Heme Iron Complexes
- (2016) Prasenjit Barman et al. INORGANIC CHEMISTRY
- Reaction mechanisms of methanol oxidation by FeIVO biomimetic complex
- (2016) Junfeng Zhao et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Beyond ferryl-mediated hydroxylation: 40 years of the rebound mechanism and C–H activation
- (2016) Xiongyi Huang et al. JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
- Mechanism of O2 Activation by α-Ketoglutarate Dependent Oxygenases Revisited. A Quantum Chemical Study
- (2016) Anna Wójcik et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Substrate Sulfoxidation by an Iron(IV)-Oxo Complex: Benchmarking Computationally Calculated Barrier Heights to Experiment
- (2016) Fabián G. Cantú Reinhard et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity
- (2016) Martin Srnec et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Singlet versus Triplet Reactivity in an Mn(V)–Oxo Species: Testing Theoretical Predictions Against Experimental Evidence
- (2016) Tzuhsiung Yang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Modeling Non-Heme Iron Halogenases: High-Spin Oxoiron(IV)–Halide Complexes That Halogenate C–H Bonds
- (2016) Mayank Puri et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A visible-light-promoted radical reaction system for azidation and halogenation of tertiary aliphatic C–H bonds
- (2016) Yaxin Wang et al. Chemical Science
- Origin of the Enhanced Reactivity of μ-Nitrido-Bridged Diiron(IV)-Oxo Porphyrinoid Complexes over Cytochrome P450 Compound I
- (2016) Matthew G. Quesne et al. ACS Catalysis
- Selective Chlorination of Substrates by the Halogenase SyrB2 Is Controlled by the Protein According to a Combined Quantum Mechanics/Molecular Mechanics and Molecular Dynamics Study
- (2016) Jing Huang et al. ACS Catalysis
- Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs
- (2015) Matthew G. Quesne et al. CHEMISTRY-A EUROPEAN JOURNAL
- Drug Metabolism by Cytochrome P450 Enzymes: What Distinguishes the Pathways Leading to Substrate Hydroxylation Over Desaturation?
- (2015) Li Ji et al. CHEMISTRY-A EUROPEAN JOURNAL
- Catalytic Mechanism of Cofactor-Free Dioxygenases and How They Circumvent Spin-Forbidden Oxygenation of Their Substrates
- (2015) Aitor Hernández-Ortega et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A comprehensive test set of epoxidation rate constants for iron(iv)–oxo porphyrin cation radical complexes
- (2015) Mala A. Sainna et al. Chemical Science
- More than just a Halogenase: Modification of Fatty Acyl Moieties by a Trifunctional Metal Enzyme
- (2014) Sarah M. Pratter et al. CHEMBIOCHEM
- Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non-Heme Iron(III) Complexes
- (2014) Robin Jastrzebski et al. CHEMISTRY-A EUROPEAN JOURNAL
- The Role of Chloride in the Mechanism of O2 Activation at the Mononuclear Nonheme Fe(II) Center of the Halogenase HctB
- (2014) Sarah M. Pratter et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Long-Range Electron Transfer Triggers Mechanistic Differences between Iron(IV)-Oxo and Iron(IV)-Imido Oxidants
- (2014) Suresh Kumar et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Insights into enzymatic halogenation from computational studies
- (2014) Hans M. Senn Frontiers in Chemistry
- Comparison of the Reactivity of Nonheme Iron(IV)-Oxo versus Iron(IV)-Imido Complexes: Which is the Better Oxidant?
- (2013) Anil Kumar Vardhaman et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Inversion of Enantioselectivity of a Mononuclear Non-Heme Iron(II)-dependent Hydroxylase by Tuning the Interplay of Metal-Center Geometry and Protein Structure
- (2013) Sarah M. Pratter et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Computational modelling of oxygenation processes in enzymes and biomimetic model complexes
- (2013) Sam P. de Visser et al. CHEMICAL COMMUNICATIONS
- Quantum Mechanics/Molecular Mechanics Study on the Oxygen Binding and Substrate Hydroxylation Step in AlkB Repair Enzymes
- (2013) Matthew G. Quesne et al. CHEMISTRY-A EUROPEAN JOURNAL
- Does Hydrogen-Bonding Donation to Manganese(IV)-Oxo and Iron(IV)-Oxo Oxidants Affect the Oxygen-Atom Transfer Ability? A Computational Study
- (2013) Reza Latifi et al. CHEMISTRY-A EUROPEAN JOURNAL
- Analysis of an alternative to the H-atom abstraction mechanism in methane C–H bond activation by nonheme iron(iv)-oxo oxidants
- (2013) Hao Tang et al. DALTON TRANSACTIONS
- A Frontier Orbital Study with ab Initio Molecular Dynamics of the Effects of Solvation on Chemical Reactivity: Solvent-Induced Orbital Control in FeO-Activated Hydroxylation Reactions
- (2013) Leonardo Bernasconi et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Mechanistic Insights on the ortho-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric-Hydroperoxo and High-Valent FeIV═O and FeV═O Intermediates
- (2013) Azaj Ansari et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Dichotomous Hydrogen Atom Transfer vs Proton-Coupled Electron Transfer During Activation of X–H Bonds (X = C, N, O) by Nonheme Iron–Oxo Complexes of Variable Basicity
- (2013) Dandamudi Usharani et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Nonheme Iron-Mediated Amination of C(sp3)–H Bonds. Quinquepyridine-Supported Iron-Imide/Nitrene Intermediates by Experimental Studies and DFT Calculations
- (2013) Yungen Liu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Elucidation of the Fe(iv)=O intermediate in the catalytic cycle of the halogenase SyrB2
- (2013) Shaun D. Wong et al. NATURE
- Do spin state and spin density affect hydrogen atom transfer reactivity?
- (2013) Caroline T. Saouma et al. Chemical Science
- Structure and function of atypically coordinated enzymatic mononuclear non-heme-Fe(II) centers
- (2012) Daniela Buongiorno et al. COORDINATION CHEMISTRY REVIEWS
- Model Iron–Oxo Species and the Oxidation of Imidazole: Insights into the Mechanism of OvoA and EgtB?
- (2012) Eric A. C. Bushnell et al. INORGANIC CHEMISTRY
- Regioselectivity of substrate hydroxylation versus halogenation by a nonheme iron(IV)–oxo complex: possibility of rearrangement pathways
- (2012) Matthew G. Quesne et al. JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY
- Nonheme ferric hydroperoxo intermediates are efficient oxidants of bromide oxidation
- (2011) Anil Kumar Vardhaman et al. CHEMICAL COMMUNICATIONS
- Theoretical Study of the Mechanism of Oxoiron(IV) Formation from H2O2and a Nonheme Iron(II) Complex: O–O Cleavage Involving Proton-Coupled Electron Transfer
- (2011) Hajime Hirao et al. INORGANIC CHEMISTRY
- Perferryl FeV–Oxo Nonheme Complexes: Do They Have High-Spin or Low-Spin Ground States?
- (2011) Hui Chen et al. Journal of Chemical Theory and Computation
- Theoretical Study on the Mechanism of the Oxygen Activation Process in Cysteine Dioxygenase Enzymes
- (2011) Devesh Kumar et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state
- (2011) S. Ye et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Iron-Catalyzed Halogenation of Alkanes: Modeling of Nonheme Halogenases by Experiment and DFT Calculations
- (2010) Peter Comba et al. CHEMISTRY-A EUROPEAN JOURNAL
- Steric Factors Override Thermodynamic Driving Force in Regioselectivity of Proline Hydroxylation by Prolyl-4-hydroxylase Enzymes
- (2010) Baharan Karamzadeh et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Density Functional Theory Calculations on the Mononuclear Non-Heme Iron Active Site of Hmd Hydrogenase: Role of the Internal Ligands in Tuning External Ligand Binding and Driving H2Heterolysis
- (2010) Abhishek Dey JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Manganese Porphyrins Catalyze Selective C−H Bond Halogenations
- (2010) Wei Liu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Mechanism of Selective Halogenation by SyrB2: A Computational Study
- (2010) Tomasz Borowski et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Cytochrome P450 Compound I: Capture, Characterization, and C-H Bond Activation Kinetics
- (2010) J. Rittle et al. SCIENCE
- Oxidative Halogenation with “Green” Oxidants: Oxygen and Hydrogen Peroxide
- (2009) Ajda Podgoršek et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Substrate-Triggered Formation and Remarkable Stability of the C−H Bond-Cleaving Chloroferryl Intermediate in the Aliphatic Halogenase, SyrB2
- (2009) Megan L. Matthews et al. BIOCHEMISTRY
- Origin of the Correlation of the Rate Constant of Substrate Hydroxylation by Nonheme Iron(IV)-oxo Complexes with the Bond-Dissociation Energy of the CH Bond of the Substrate
- (2009) Reza Latifi et al. CHEMISTRY-A EUROPEAN JOURNAL
- Why does the enzyme SyrB2 chlorinate, but does not hydroxylate, saturated hydrocarbons? A density functional theory (DFT) study
- (2009) Shanthi Pandian et al. DALTON TRANSACTIONS
- Biohalogenation: Nature’s Way to Synthesize Halogenated Metabolites†
- (2009) Claudia Wagner et al. JOURNAL OF NATURAL PRODUCTS
- First-Principles Study of Non-heme Fe(II) Halogenase SyrB2 Reactivity
- (2009) Heather J. Kulik et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Trends in Substrate Hydroxylation Reactions by Heme and Nonheme Iron(IV)-Oxo Oxidants Give Correlations between Intrinsic Properties of the Oxidant with Barrier Height
- (2009) Sam P. de Visser JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Mechanistic considerations of halogenating enzymes
- (2009) Alison Butler et al. NATURE
- Substrate positioning controls the partition between halogenation and hydroxylation in the aliphatic halogenase, SyrB2
- (2009) M. L. Matthews et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Catalytic mechanisms, basic roles, and biotechnological and environmental significance of halogenating enzymes
- (2008) Xianping Chen et al. ACTA BIOCHIMICA ET BIOPHYSICA SINICA
- Mononuclear non-heme iron enzymes with the 2-His-1-carboxylate facial triad: recent developments in enzymology and modeling studies
- (2008) Pieter C. A. Bruijnincx et al. CHEMICAL SOCIETY REVIEWS
- The EDTA Complex of Oxidoiron(IV) as Realisation of an Optimal Ligand Environment for High Activity of FeO2+
- (2008) Leonardo Bernasconi et al. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
- Comparative Quantum Mechanics/Molecular Mechanics (QM/MM) and Density Functional Theory Calculations on the Oxo−Iron Species of Taurine/α-Ketoglutarate Dioxygenase
- (2008) Elizabeth Godfrey et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Carbon Dioxide: A Waste Product in the Catalytic Cycle of α-Ketoglutarate Dependent Halogenases Prevents the Formation of Hydroxylated By-Products
- (2008) Sam P. de Visser et al. JOURNAL OF PHYSICAL CHEMISTRY B
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