Intermediate-assisted multifunctional catalysis in the conversion of flavin to 5,6-dimethylbenzimidazole by BluB: A density functional theory study

Journal of the American Chemical Society

Volumn 133, Issue 11, 2011, Pages 4079-4091

  Wang, Xiao Lei ^a   Quan, Jun Min ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ACTIVE SITE; ALLOXAN; CATALYTIC ROLE; COFACTORS; CONSERVED RESIDUES; CONVERSION MECHANISM; D-ERYTHROSE; DIMETHYLBENZIMIDAZOLE; DIOXYGENS; ENZYMATIC REACTION; EXPERIMENTAL OBSERVATION; FLAVIN MONONUCLEOTIDES; HYBRID DENSITY FUNCTIONAL METHOD; MULTIFUNCTIONAL CATALYSIS; NOVEL INTERMEDIATES; PROTON ACCEPTORS; PROTON DONORS; PROTON SHUTTLE; PROTONATED; RATE DETERMINING STEP; RING CLOSINGS; VITAMIN B;

CATALYSIS; DENSITY FUNCTIONAL THEORY; OXYGEN; PROTONS;

REACTION INTERMEDIATES;

ALLOXAN; CARBON; ENZYME; FLAVIN DESTRUCTASE BLUB; IMIDAZOLE DERIVATIVE; OXYGEN; PHENYLENEDIAMINE DERIVATIVE; PROTON; QUERCETIN; UNCLASSIFIED DRUG;

ALDOL REACTION; ARTICLE; BIOTRANSFORMATION; CATALYSIS; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; ENZYME MECHANISM; HYBRID; PROTON TRANSPORT; RING CLOSING METATHESIS;

BENZIMIDAZOLES; CATALYSIS; FLAVINS; MODELS, MOLECULAR;

EID: 79952774271     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja1106207     Document Type: Article

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