Potential of mean force calculation for the proton and hydride transfer reactions catalyzed by medium-chain Acyl-CoA dehydrogenase: Effect of mutations on enzyme catalysis

Biochemistry

Volumn 44, Issue 50, 2005, Pages 16549-16562

  Bhattacharyya, Sudeep ^a   Ma, Shuhua ^a   Stankovich, Marian T ^a   Truhlar, Donald G ^a   Gao, Jiali ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; CATALYSIS; COMPUTER SIMULATION; CONFORMATIONS; DEHYDROGENATION; ENZYMES; MUTAGENESIS; PROTONS;

ACTIVATION BARRIER; DEHYDROGENASE; HYDRIDE TRANSFER; MEAN FORCE CALCULATION;

REACTION KINETICS;

ACYL COENZYME A; ACYL COENZYME A DEHYDROGENASE; ARGININE; CARBONYL DERIVATIVE; GLUTAMINE; MUTANT PROTEIN; THIOESTER; THREONINE;

AMINO ACID SUBSTITUTION; ARTICLE; CALCULATION; COMPARATIVE STUDY; DISSOCIATION; ENERGY; ENZYME ACTIVE SITE; ENZYME CONFORMATION; ENZYME MECHANISM; ENZYME SUBSTRATE COMPLEX; FORCE; GENETIC CONSERVATION; HYDROGEN BOND; HYDROGENATION; MOLECULAR STABILITY; MUTATION; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTON TRANSPORT; REACTION ANALYSIS; SIMULATION; STRUCTURE ANALYSIS; WILD TYPE;

ACYL-COA DEHYDROGENASE; ACYLATION; ANIMALS; ARGININE; CATALYSIS; CRICETINAE; ENZYME ACTIVATION; HYDROGEN BONDING; MODELS, MOLECULAR; MUTATION; PROTEIN CONFORMATION; PROTONS; SUBSTRATE SPECIFICITY;

EID: 29244444539     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi051630m     Document Type: Article

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