Why does the enzyme SyrB2 chlorinate, but does not hydroxylate, saturated hydrocarbons? A density functional theory (DFT) study

Dalton Transactions

Volumn , Issue 31, 2009, Pages 6201-6207

  Pandian, Shanthi ^a   Vincent, Mark A ^a   Hillier, Ian H ^a   Burton, Neil A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; CATALYSE; DENSITY FUNCTIONAL THEORY CALCULATIONS; KETOGLUTARATE; MUTANT ENZYMES; SATURATED HYDROCARBONS;

CHLORINE; ENZYMES; HALOGENATION; HYDROCARBONS; HYDROXYLATION; PORPHYRINS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY;

2 OXOGLUTARATE SYNTHASE; 2-OXOGLUTARATE SYNTHASE; CHLORINATED HYDROCARBON; OXIDOREDUCTASE;

ARTICLE; BIOCATALYSIS; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; METABOLISM; QUANTUM THEORY; STEREOISOMERISM; SYNTHESIS;

BIOCATALYSIS; COMPUTER SIMULATION; HYDROCARBONS, CHLORINATED; KETONE OXIDOREDUCTASES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTUM THEORY; STEREOISOMERISM;

EID: 68149144337     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/b906866j     Document Type: Article

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