Ferric superoxide and ferric hydroxide are used in the catalytic mechanism of hydroxyethylphosphonate dioxygenase: A density functional theory investigation

Journal of the American Chemical Society

Volumn 132, Issue 50, 2010, Pages 17901-17909

  Hirao, Hajime ^a,c   Morokuma, Keiji ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b EMORY UNIVERSITY   (United States)

^c KOBE UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; C-C BONDS; CATALYTIC MECHANISMS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DINUCLEAR; DIOXYGENASES; FERRIC HYDROXIDE; FORMER PROCESS; H-ABSTRACTION; MYO-INOSITOL OXYGENASE; NON-HEME IRON ENZYMES; OVERALL REACTIONS; SUPEROXIDES; TWO-PRODUCT;

ABSTRACTING; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ENZYMES; FORMIC ACID; IRON; IRON COMPOUNDS; OXYGEN; SUGARS;

REACTION INTERMEDIATES;

FERRIC HYDROXIDE; FERRIC OXIDE; FERRIC SUPEROXIDE; HYDROXYETHYLPHOSPHONATE DIOXYGENASE; INOSITOL OXYGENASE; OXYGENASE; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CHEMICAL BOND; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVE SITE; ENZYME STRUCTURE; HYDROPEROXYLATION; HYDROXYLATION;

CATALYSIS; CATALYTIC DOMAIN; DIOXYGENASES; FERRIC COMPOUNDS; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; PHOSPHONIC ACIDS; QUANTUM THEORY; SUPEROXIDES;

EID: 78650296431     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja108174d     Document Type: Article

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