Hydrogen tunneling in quinoproteins.

No abstract is available for this paper.

• Publication year

  2004

• Venue

  Archives of Biochemistry and Biophysics

• Publication date

  2004-08-01

• Fields of study

  Biology, Medicine, Chemistry

• Identifiers
  DOI 10.1016/J.ABB.2004.03.013PMID 15234268
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Vibrationally enhanced hydrogen tunneling in the Escherichia coli thymidylate synthase catalyzed reaction.

  2004cited by this paper
• How Enzymes Work: Analysis by Modern Rate Theory and Computer Simulations

  2004cited by this paper
• Simulations of the large kinetic isotope effect and the temperature dependence of the hydrogen atom transfer in lipoxygenase.

  2004cited by this paper
• Effects of multiple ligand binding on kinetic isotope effects in PQQ-dependent methanol dehydrogenase.

  2003cited by this paper
• Insights into enzyme catalysis from QM/MM modelling: transition state stabilization in chorismate mutase

  2003cited by this paper
• A Computational Method to Identify Residues Important in Creating a Protein Promoting Vibration in Enzymes

  2003cited by this paper
• A Perspective on Enzyme Catalysis

  2003cited by this paper
• The first experimental test of the hypothesis that enzymes have evolved to enhance hydrogen tunneling.

  2003cited by this paper
• Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects

  2003cited by this paper
• Quantum mechanical methods for enzyme kinetics.

  2003cited by this paper
• The rate of hydrolysis of phosphomonoester dianions and the exceptional catalytic proficiencies of protein and inositol phosphatases

  2003cited by this paper
• H-tunneling in the Multiple H-transfers of the Catalytic Cycle of Morphinone Reductase and in the Reductive Half-reaction of the Homologous Pentaerythritol Tetranitrate Reductase*

  2003cited by this paper
• Influence of Structural Fluctuation on Enzyme Reaction Energy Barriers in Combined Quantum Mechanical/Molecular Mechanical Studies

  2003cited by this paper
• Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductase.

  2003cited by this paper
• A compelling experimental test of the hypothesis that enzymes have evolved to enhance quantum mechanical tunneling in hydrogen transfer reactions: the beta-neopentylcobalamin system combined with prior adocobalamin data.

  2003cited by this paper
• Response to Comment on “Effect of Active Site Mutation Phe93 → Trp in the Horse Liver Alcohol Dehydrogenase Enzyme on Catalysis: A Molecular Dynamics Study”

  2003cited by this paper
• Extreme tunnelling in methylamine dehydrogenase revealed by hybrid QM/MM calculations: potential energy surface profile for methylamine and ethanolamine substrates and kinetic isotope effect values

  2003cited by this paper
• Network of coupled promoting motions in enzyme catalysis

  2002cited by this paper
• Calculations of hydrogen tunnelling and enzyme catalysis: A comparison of liver alcohol dehydrogenase, methylamine dehydrogenase and soybean lipoxygenase

  2002cited by this paper
• Environmentally coupled hydrogen tunneling

  2002cited by this paper
• Hydrogen tunneling in peptidylglycine alpha-hydroxylating monooxygenase.

  2002cited by this paper
• Hydrogen Tunneling in Peptidylglycine α-Hydroxylating Monooxygenase

  2002cited by this paper
• Barrier passage and protein dynamics in enzymatically catalyzed reactions.

  2002cited by this paper
• Coupling interactions of distal residues enhance dihydrofolate reductase catalysis: mutational effects on hydride transfer rates.

  2002cited by this paper
• The incorporation of quantum effects in enzyme kinetics modeling.

  2002cited by this paper
• Nuclear Quantum Effects and Enzyme Dynamics in Dihydrofolate Reductase Catalysis

  2002cited by this paper
• Impact of enzyme motion on activity.

  2002cited by this paper
• Erratum to: “Quantum mechanical tunneling in methylamine dehydrogenase” [Chem. Phys. Lett. 347 (2001) 512–518]

  2002cited by this paper
• Environmentally coupled hydrogen tunneling. Linking catalysis to dynamics.

  2002cited by this paper
• Temperature-dependent isotope effects in soybean lipoxygenase-1: correlating hydrogen tunneling with protein dynamics.

  2002cited by this paper
• A new conceptual framework for enzyme catalysis. Hydrogen tunnelling coupled to enzyme dynamics in flavoprotein and quinoprotein enzymes.

  2002cited by this paper
• Identification of a protein-promoting vibration in the reaction catalyzed by horse liver alcohol dehydrogenase.

  2002cited by this paper
• Boundary conditions for the Swain-Schaad relationship as a criterion for hydrogen tunneling.

  2002cited by this paper
• Internal Enzyme Motions as a Source of Catalytic Activity: Rate-Promoting Vibrations and Hydrogen Tunneling

  2001cited by this paper
• Backbone dynamics in dihydrofolate reductase complexes: role of loop flexibility in the catalytic mechanism.

  2001cited by this paper
• QM/MM studies show substantial tunneling for the hydrogen-transfer reaction in methylamine dehydrogenase.

  2001cited by this paper
• Deuterium Isotope Effects during Carbon–Hydrogen Bond Cleavage by Trimethylamine Dehydrogenase

  2001cited by this paper
• Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion.

  2001cited by this paper
• Quantum mechanical tunneling in methylamine dehydrogenase

  2001cited by this paper
• Canonical variational theory for enzyme kinetics with the protein mean force and multidimensional quantum mechanical tunneling dynamics. Theory and application to liver alcohol dehydrogenase

  2001cited by this paper
• Dynamics of biochemical and biophysical reactions: insight from computer simulations

  2001cited by this paper
• Importance of Barrier Shape in Enzyme-catalyzed Reactions

  2001cited by this paper
• A computational method to discover the existence of promoting vibrations for chemical reactions in condensed phases

  2001cited by this paper
• Energetics and Dynamics of Enzymatic Reactions

  2001cited by this paper
• Catalytic mechanism of quinoprotein methanol dehydrogenase: A theoretical and x-ray crystallographic investigation.

  2001cited by this paper
• Kinetic studies of the mechanism of carbon-hydrogen bond breakage by the heterotetrameric sarcosine oxidase of Arthrobacter sp. 1-IN.

  2000cited by this paper
• Quantum Dynamics of Hydride Transfer in Enzyme Catalysis

  2000cited by this paper
• Methanol dehydrogenase, a PQQ-containing quinoprotein dehydrogenase.

  2000cited by this paper
• Enzymatic H-transfer requires vibration-driven extreme tunneling.

  1999cited by this paper
• Quantum proton transfer with spatially dependent friction: Phenol-amine in methyl chloride

  1999cited by this paper
• Enzyme dynamics and hydrogen tunnelling in a thermophilic alcohol dehydrogenase

  1999cited by this paper
• Hydrogen tunneling in biology.

  1999cited by this paper
• Detailed active site configuration of a new crystal form of methanol dehydrogenase from Methylophilus W3A1 at 1.9 A resolution.

  1999cited by this paper
• Proton and hydrogen atom tunnelling in hydrolytic and redox enzyme catalysis

  1999cited by this paper
• Structure and mechanism of soluble quinoprotein glucose dehydrogenase

  1999cited by this paper
• A molecular dynamics quantum Kramers study of proton transfer in solution

  1999cited by this paper
• Solvation, Reorganization Energy, and Biological Catalysis*

  1998cited by this paper
• Enzyme Catalytic Power Minireview Series*

  1998cited by this paper
• Activated chemistry in the presence of a strongly symmetrically coupled vibration

  1998cited by this paper
• Electrostatic Origin of the Catalytic Power of Enzymes and the Role of Preorganized Active Sites*

  1998cited by this paper
• The Low Barrier Hydrogen Bond in Enzymatic Catalysis*

  1998cited by this paper
• Enzyme Catalysis: Beyond Classical Paradigms

  1998cited by this paper
• Evidence for a functional role of the dynamics of glycine-121 of Escherichia coli dihydrofolate reductase obtained from kinetic analysis of a site-directed mutant.

  1997cited by this paper
• Large kinetic isotope effects in enzymatic proton transfer and the role of substrate oscillations.

  1997cited by this paper
• Conformation of coenzyme pyrroloquinoline quinone and role of Ca2+ in the catalytic mechanism of quinoprotein methanol dehydrogenase.

  1997cited by this paper
• A perspective on biological catalysis

  1996cited by this paper
• Curve Crossing Formulation for Proton Transfer Reactions in Solution

  1996cited by this paper
• IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

  1995cited by this paper
• Electron transfer reactions between aromatic amine dehydrogenase and azurin.

  1995cited by this paper
• Unusually large isotope effect for the reaction of aromatic amine dehydrogenase. A common feature of quinoproteins?

  1995cited by this paper
• Dynamics of the dihydrofolate reductase-folate complex: catalytic sites and regions known to undergo conformational change exhibit diverse dynamical features.

  1995cited by this paper
• Dynamics of a flexible loop in dihydrofolate reductase from Escherichia coli and its implication for catalysis.

  1994cited by this paper
• Hydrogen tunneling in the flavoenzyme monoamine oxidase B.

  1994cited by this paper
• Low-barrier hydrogen bonds and enzymic catalysis.

  1994cited by this paper
• A low-barrier hydrogen bond in the catalytic triad of serine proteases.

  1994cited by this paper
• A new kinetic model for the steady-state reactions of the quinoprotein methanol dehydrogenase from Paracoccus denitrificans.

  1993cited by this paper
• Unmasking of hydrogen tunneling in the horse liver alcohol dehydrogenase reaction by site-directed mutagenesis.

  1993cited by this paper
• Understanding the rates of certain enzyme-catalyzed reactions: proton abstraction from carbon acids, acyl-transfer reactions, and displacement reactions of phosphodiesters.

  1993cited by this paper
• Deuterium kinetic isotope effect and stopped-flow kinetic studies of the quinoprotein methylamine dehydrogenase.

  1993cited by this paper
• Molecular modeling of the kinetic isotope effect for the [1,5]-sigmatropic rearrangement of cis-1,3-pentadiene

  1993cited by this paper
• Three‐dimensional structure of the quinoprotein methylamine dehydrogenase from Paracoccus denitrificans determined by molecular replacement at 2.8 Å resolution

  1992cited by this paper
• The experimental manifestations of corner-cutting tunneling

  1992cited by this paper
• Reactions of benzylamines with methylamine dehydrogenase. Evidence for a carbanionic reaction intermediate and reaction mechanism similar to eukaryotic quinoproteins.

  1992cited by this paper
• Vibrationally enhanced tunneling as a mechanism for enzymatic hydrogen transfer.

  1992cited by this paper
• Computer Modeling of Chemical Reactions in Enzymes and Solutions

  1991cited by this paper
• Direct dynamics calculations with NDDO (neglect of diatomic differential overlap) molecular orbital theory with specific reaction parameters

  1991cited by this paper
• Molecular structure of flavocytochrome b2 at 2.4 A resolution.

  1990cited by this paper
• A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

  1990cited by this paper
• Hydrogen tunneling in enzyme reactions.

  1989cited by this paper
• Evidence that both protium and deuterium undergo significant tunneling in the reaction catalyzed by bovine serum amine oxidase.

  1989cited by this paper
• PQQ and Quinoproteins

  1989cited by this paper
• On evaluating the reaction path Hamiltonian

  1988cited by this paper
• Kinetic and spectral studies on the redox forms of methanol dehydrogenase from Hyphomicrobium X.

  1988cited by this paper
• How do enzymes work?

  1988cited by this paper
• A combined ab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: Applications to the CH3Cl + Cl− exchange reaction and gas phase protonation of polyethers

  1986cited by this paper
• Theory of chemical reaction dynamics

  1985cited by this paper
• Electron transfers in chemistry and biology

  1985cited by this paper
• Kinetic isotope effects in enzymology.

  1978cited by this paper
• Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

  1977cited by this paper
• Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme.

  1976cited by this paper

• What triggers the coupling of proton transfer and electron transfer at the active site of nitrogenase?

  2024cites this paper
• Free-Energy Landscape and Proton Transfer Pathways in Oxidative Deamination by Methylamine Dehydrogenase.

  2017cites this paper
• NMR-based kinetic isotope assays of enzyme-catalysed methyl transfer reactions

  2017cites this paper
• Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase.

  2017cites this paper
• Metal enzymes in "impossible" microorganisms catalyzing the anaerobic oxidation of ammonium and methane.

  2015cites this paper
• A Unified Chemical Mechanism for Hydrogenation Reactions Catalyzed by Nitrogenase

  2014cites this paper
• The Importance of Ensemble Averaging in Enzyme Kinetics

  2014cites this paper
• Nitrogenase: a general hydrogenator of small molecules.

  2013cites this paper
• Good vibrations in enzyme-catalysed reactions.

  2012cites this paper
• Probing the high pressure effect on morphinone reductase using computational methods

  2011influential citation
• Gaining Insight into Enzyme Function through Correlation with Protein Motions

  2011cites this paper
• A Twin-track Approach Has Optimized Proton and Hydride Transfer by Dynamically Coupled Tunneling during the Evolution of Protochlorophyllide Oxidoreductase*

  2011cites this paper
• Protein dynamics and enzyme catalysis: insights from simulations.

  2011cites this paper
• Uranium exerts acute toxicity by binding to pyrroloquinoline quinone cofactor.

  2011cites this paper
• Guest editor's introduction. Special issue on oxidative enzymes.

  2010cites this paper
• Stem cell plasticity: recapping the decade, mapping the future.

  2010cites this paper
• Computer simulations of quantum tunnelling in enzyme-catalysed hydrogen transfer reactions

  2010cites this paper
• Direct analysis of donor-acceptor distance and relationship to isotope effects and the force constant for barrier compression in enzymatic H-tunneling reactions.

  2010cites this paper
• Vibrational specificity of proton-transfer dynamics in ground-state tropolone.

  2010cites this paper
• Enzyme Dynamics and Catalysis: Insights from Simulations

  2010cites this paper
• Quantum behavior of water protons in protein hydration shell.

  2009cites this paper
• Nuclear Quantum Tunneling in the Light-activated Enzyme Protochlorophyllide Oxidoreductase*

  2009cites this paper
• Mechanistic investigations of human reticulocyte 15- and platelet 12-lipoxygenases with arachidonic acid.

  2009cites this paper
• Probing coupled motions in enzymatic hydrogen tunnelling reactions.

  2009cites this paper
• The kinetic effect of internal hydrogen bonds on proton-coupled electron transfer from phenols: a theoretical analysis with modeling of experimental data.

  2009cites this paper
• Molecular aspects of uranium toxicity : speciation and physiological targeting

  2009cites this paper
• Driving Force Analysis of Proton Tunnelling Across a Reactivity Series for an Enzyme‐Substrate Complex

  2008cites this paper
• Incorporation of hydrostatic pressure into models of hydrogen tunneling highlights a role for pressure-modulated promoting vibrations.

  2008cites this paper
• Catalysis by the isolated tryptophan tryptophylquinone-containing subunit of aromatic amine dehydrogenase is distinct from native enzyme and synthetic model compounds and allows further probing of TTQ mechanism.

  2008cites this paper
• Solvent as a probe of active site motion and chemistry during the hydrogen tunnelling reaction in morphinone reductase.

  2008cites this paper
• Atomistic insight into the origin of the temperature-dependence of kinetic isotope effects and H-tunnelling in enzyme systems is revealed through combined experimental studies and biomolecular simulation.

  2008cites this paper
• The chemical mechanism of nitrogenase: hydrogen tunneling and further aspects of the intramolecular mechanism for hydrogenation of eta(2)-N(2) on FeMo-co to NH(3).

  2008cites this paper
• Computational enzymology: insight into biological catalysts from modelling.

  2008cites this paper
• Analysis of classical and quantum paths for deprotonation of methylamine by methylamine dehydrogenase.

  2007cites this paper
• Promoting motions in enzyme catalysis probed by pressure studies of kinetic isotope effects

  2007cites this paper
• Tunneling and classical paths for proton transfer in an enzyme reaction dominated by tunneling: oxidation of tryptamine by aromatic amine dehydrogenase.

  2007cites this paper
• Ab initio QM/MM modelling of acetyl-CoA deprotonation in the enzyme citrate synthase.

  2007cites this paper
• An internal equilibrium preorganizes the enzyme-substrate complex for hydride tunneling in choline oxidase.

  2007cites this paper
• Evidence for coupled motion and hydrogen tunneling of the reaction catalyzed by glutamate mutase.

  2007cites this paper
• Proton tunneling in aromatic amine dehydrogenase is driven by a short-range sub-picosecond promoting vibration: consistency of simulation and theory with experiment.

  2007cites this paper
• Substrate polarization in enzyme catalysis: QM/MM analysis of the effect of oxaloacetate polarization on acetyl‐CoA enolization in citrate synthase

  2007cites this paper
• Quantum mechanical hydrogen tunneling in bacterial copper amine oxidase reaction.

  2006cites this paper
• Hydride transfer reaction catalyzed by hyperthermophilic dihydrofolate reductase is dominated by quantum mechanical tunneling and is promoted by both inter- and intramonomeric correlated motions.

  2006cites this paper
• An analysis of reaction pathways for proton tunnelling in methylamine dehydrogenase

  2006cites this paper
• Atomic Description of an Enzyme Reaction Dominated by Proton Tunneling

  2006cites this paper
• Computational and theoretical methods to explore the relation between enzyme dynamics and catalysis.

  2006cites this paper
• Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions.

  2006cites this paper
• Modeling the kinetics of bimolecular reactions.

  2006cites this paper
• Effect of enzyme dynamics on catalytic activity

  2006influential citation
• Coupling of protein motions and hydrogen transfer during catalysis by Escherichia coli dihydrofolate reductase.

  2006cites this paper
• Mechanistic and structural studies of a novel L-proline dehydrogenase identified from the hyperthermophile Pyrococcus furiosus DSM 3638

  2006cites this paper
• Implications of ‘postmodern biology’ for pathology: the Cell Doctrine

  2006cites this paper
• Computational studies of enzymic hydrogen tunnelling

  2006influential citation
• Alpha-secondary isotope effects as probes of "tunneling-ready" configurations in enzymatic H-tunneling: insight from environmentally coupled tunneling models.

  2006cites this paper
• Effect of pressure on a heavy-atom isotope effect of yeast alcohol dehydrogenase.

  2006cites this paper
• Structure and mechanism of tryptophylquinone enzymes.

  2005cites this paper
• Crystallization and preliminary X-ray diffraction analysis of a flavoenzyme amine dehydrogenase/oxidase from Pyrococcus furiosus DSM 3638.

  2005cites this paper
• Special issue on enzyme mechanisms

  2005cites this paper
• Modelling enzyme reaction mechanisms, specificity and catalysis.

  2005cites this paper
• The normal range for secondary Swain-Schaad exponents without tunneling or kinetic complexity.

  2005cites this paper
• Small temperature dependence of the kinetic isotope effect for the hydride transfer reaction catalyzed by Escherichia coli dihydrofolate reductase.

  2005cites this paper
• Chemical aspects of amine oxidation by flavoprotein enzymes.

  2004cites this paper