ONIOM(DFT:MM) study of 2-hydroxyethylphosphonate dioxygenase: What determines the destinies of different substrates?

Journal of the American Chemical Society

Volumn 133, Issue 37, 2011, Pages 14550-14553

  Hirao, Hajime ^a   Morokuma, Keiji ^b  

^a Nanyang Technological University   (Singapore)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFERENT SUBSTRATES; DIOXYGENASES; PROTON-COUPLED ELECTRON TRANSFER; REACTION MECHANISM;

CATALYSIS; FORMIC ACID; FREE RADICAL REACTIONS; SUBSTRATES;

REACTION INTERMEDIATES;

2 HYDROXYETHYLPHOSPHONATE; 2 HYDROXYETHYLPHOSPHONATE DIOXYGENASE; DIOXYGENASE; PHOSPHONIC ACID DERIVATIVE; PROTON; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CATALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENZYME ACTIVITY; ENZYME MECHANISM; ENZYME SUBSTRATE; PROTON COUPLED ELECTRON TRANSFER; QUANTUM MECHANICS; STEREOCHEMISTRY;

DIOXYGENASES; MODELS, MOLECULAR; PHOSPHONIC ACIDS; STREPTOMYCES; THERMODYNAMICS;

EID: 80052796323     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja206222f     Document Type: Article

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