Hydride transfer reaction catalyzed by hyperthermophilic dihydrofolate reductase is dominated by quantum mechanical tunneling and is promoted by both inter- and intramonomeric correlated motions

Journal of the American Chemical Society

Volumn 128, Issue 24, 2006, Pages 8015-8023

  Pang, Jiayun ^a   Pu, Jingzhi ^b   Gao, Jiali ^b   Truhlar, Donald G ^b   Allemann, Rudolf K ^a  

^a CARDIFF UNIVERSITY   (United Kingdom)

^b University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; ESCHERICHIA COLI; FREE ENERGY; HYDRIDES; MONOMERS; REACTION KINETICS;

DEUTERIDE TRANSFER; ENERGY BARRIER; MOLECULAR MECHANICAL POTENTIAL; QUANTUM MECHANICAL TUNNELING; TRANSITION STATE THEORY;

ENZYMES;

DEUTERIDE; DEUTERIUM; DIHYDROFOLATE REDUCTASE; DIMER; HYDRIDE; HYDROGEN; MONOMER; UNCLASSIFIED DRUG;

ACTIVATION FREE ENERGY; ARTICLE; AVERAGED TRANSITION STATE THEORY; CALCULATION; CATALYSIS; CHEMICAL PHENOMENA; CHEMICAL REACTION; CORRELATED MOTION; ENERGY; ENERGY BARRIER; ENZYME STRUCTURE; HYDRIDE TRANSFER; HYPERTHERMOPHILIC BACTERIUM; KINETIC ISOTOPE EFFECT; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR MODEL; MOTION; MULTIDIMENSIONAL TUNNELING; POTENTIAL ENERGY; PREDICTION; PROTEIN QUATERNARY STRUCTURE; QUANTUM MECHANICS; THEORY; THERMOPHILIC BACTERIUM; THERMOTOGA MARITIMA; VIBRATION;

ALGORITHMS; BINDING SITES; CATALYSIS; DEUTERIUM; ENERGY TRANSFER; ESCHERICHIA COLI; HYDROGEN BONDING; MODELS, MOLECULAR; QUANTUM THEORY; TETRAHYDROFOLATE DEHYDROGENASE; THERMODYNAMICS; THERMOTOGA MARITIMA;

EID: 33745362450     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja061585l     Document Type: Article

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