Large-scale domain conformational change is coupled to the activation of the Co-C bond in the B 12-dependent enzyme ornithine 4,5-aminomutase: A computational study

Journal of the American Chemical Society

Volumn 134, Issue 4, 2012, Pages 2367-2377

  Pang, Jiayun ^a,b,d   Li, Xin ^c   Morokuma, Keiji ^c   Scrutton, Nigel S ^a   Sutcliffe, Michael J ^a,b  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

^c KYOTO UNIVERSITY   (Japan)

^d UNIVERSITY OF GREENWICH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; ADENOSYLCOBALAMIN; CLOSED FORM; CO-C BOND; COMPUTATIONAL STUDIES; CONFORMATIONAL CHANGE; ELECTROSTATIC EFFECT; ISOMERASES; MOLECULAR MECHANICS CALCULATIONS; NOVEL STRATEGIES; PROTEIN DOMAINS; RIGID BODY; ROSSMANN;

AMINO ACIDS; MOLECULAR MECHANICS; PROTEINS; QUANTUM THEORY;

ENZYMES;

CARBON; COBAMAMIDE; DEXTRO ORNITHINE 4,5 AMINOMUTASE; ORNITHINE DERIVATIVE; RIBOSE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CATALYSIS; CHEMICAL ANALYSIS; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; COVALENT BOND; ENERGY; ENZYME ACTIVE SITE; PROTEIN PROCESSING; QUANTUM MECHANICS; ROTATION; STATIC ELECTRICITY;

CARBON; COBALT; COBAMIDES; INTRAMOLECULAR TRANSFERASES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; STEREOISOMERISM;

EID: 84863012809     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja210417k     Document Type: Article

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