Cyanolysis and azidolysis of epoxides by haloalcohol dehalogenase: Theoretical study of the reaction mechanism and origins of regioselectivity

Biochemistry

Volumn 47, Issue 17, 2008, Pages 4973-4982

  Hopmann, Kathrin H ^a   Himo, Fahmi ^a  

^a ALBANOVA UNIVERSITY CENTER   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; DEHALOGENATION; DENSITY FUNCTIONAL THEORY; MATHEMATICAL MODELS; QUANTUM CHEMISTRY; REACTION KINETICS; REGIOSELECTIVITY;

AZIDOLYSIS; CYANOLYSIS; EPOXIDES; HALOALCOHOLS;

ENZYME ACTIVITY;

ARGININE; AROMATIC COMPOUND; CYANIDE; ENZYME; EPOXIDE; HALIDE; HALOALCOHOL DEHALOGENASE; SERINE; STYRENE OXIDE; TYROSINE; UNCLASSIFIED DRUG; AZIDE; HYDROLASE;

ARTICLE; AZIDOLYSIS; BIOCATALYST; CHEMICAL REACTION; CYANOLYSIS; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVE SITE; ENZYME MECHANISM; ENZYME SPECIFICITY; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTUM MECHANICS; REACTION ANALYSIS; RING OPENING; STEREOCHEMISTRY; THEORETICAL STUDY; BINDING SITE; BIOLOGICAL MODEL; BIOLOGY; CATALYSIS; CHEMISTRY; GENETICS; METABOLISM; MUTATION; QUANTUM THEORY; STEREOISOMERISM;

AZIDES; BINDING SITES; CATALYSIS; COMPUTATIONAL BIOLOGY; CYANIDES; EPOXY COMPOUNDS; HYDROLASES; MODELS, BIOLOGICAL; MUTATION; QUANTUM THEORY; STEREOISOMERISM; SUBSTRATE SPECIFICITY;

EID: 42449125237     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi800001r     Document Type: Article

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