Quantum mechanics/molecular mechanics studies on the mechanism of action of cofactor pyridoxal 5′-phosphate in ornithine 4,5-aminomutase

Chemistry - A European Journal

Volumn 20, Issue 36, 2014, Pages 11390-11401

  Pang, Jiayun ^a   Scrutton, Nigel S ^b   Sutcliffe, Michael J ^b  

^a UNIVERSITY OF GREENWICH   (United Kingdom)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

density functional calculations; enzyme catalysis; enzyme models; molecular mechanics; radical reactions

Indexed keywords

AMINO ACIDS; ATOMS; CARBOXYLATION; CATALYSIS; CYCLIZATION; DENSITY FUNCTIONAL THEORY; ENZYMES; MOLECULAR MECHANICS; MOLECULAR MODELING; NITROGEN; QUANTUM THEORY; REACTION KINETICS;

COMPUTATIONAL STUDIES; ENZYME CATALYSIS; ENZYME MODELS; HYDROGEN ABSTRACTION; NUMBER OF CARBON ATOMS; PYRIDINE-NITROGEN ATOM; QUANTUM MECHANICS/MOLECULAR MECHANICS; RADICAL REACTIONS;

MECHANICS;

MUTASE; ORNITHINE 5,4-AMINOMUTASE; PYRIDOXAL 5 PHOSPHATE;

CHEMISTRY; CLOSTRIDIUM; ENZYME ACTIVE SITE; ENZYMOLOGY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; QUANTUM THEORY;

CATALYTIC DOMAIN; CLOSTRIDIUM; INTRAMOLECULAR TRANSFERASES; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PYRIDOXAL PHOSPHATE; QUANTUM THEORY;

EID: 84906950920     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201402759     Document Type: Article

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