Catalytic reaction mechanism of homogentisate dioxygenase: A hybrid DFT study

Journal of the American Chemical Society

Volumn 127, Issue 49, 2005, Pages 17303-17314

  Borowski, Tomasz ^a   Georgiev, Valentin ^a   Siegbahn, Per E M ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CHEMICAL BONDS; FREE RADICALS; OXYGEN; PROBABILITY DENSITY FUNCTION;

AROMATIC RING; METHYLIMIDAZOLE;

ENZYMES;

2 OXOHEPTA 3,5 DIENEDIOATE; FERRIC ION; FERROUS ION; GENTISIC ACID; GLUTAMINE; HISTIDINE; HOMOGENTISATE 1,2 DIOXYGENASE; HOMOGENTISIC ACID; IMIDAZOLE DERIVATIVE; MALEYLPYRUVATE; METHYLIMIDAZOLE; PROPIONIC ACID; RADICAL; SALICYLIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVE SITE; ENZYME BINDING; ENZYME MECHANISM; ENZYME SPECIFICITY; ENZYME SUBSTRATE; HYBRID DENSITY FUNCTIONAL THEORY; NONHUMAN; RING OPENING;

COMPUTER SIMULATION; GENTISATES; HOMOGENTISATE 1,2-DIOXYGENASE; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; SALICYLATES; SUBSTRATE SPECIFICITY;

EID: 29044431814     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja054433j     Document Type: Article

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