Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory

Recent computational studies of alkane hydroxylation and alkene epoxidation by a model active species of the enzyme cytochrome P-450 reveal a two-state reactivity (TSR) scenario in which the information content of the product distribution is determined jointly by two states. TSR is used to reconcile...

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Veröffentlicht in:	Current Opinion in Chemical Biology 2002-10, Vol.6 (5), p.556-567
Hauptverfasser:	Shaik, Sason, de Visser, Samuël P, Ogliaro, François, Schwarz, Helmut, Schröder, Detlef
Format:	Artikel
Sprache:	eng
Schlagworte:	Alkanes - chemistry Compound I Cytochrome P-450 Enzyme System - chemistry Cytochrome P-450 Enzyme System - metabolism density functional calculations enzyme catalysis Epoxy Compounds - chemistry Ethylenes - chemistry Free Radicals - chemistry Hydroxylation Iron - chemistry Iron - metabolism iron porphyrin iron-oxo Kinetics Ligands Models, Chemical oxidation Oxidation-Reduction Porphyrins - chemistry radical intermediate reaction mechanism spin crossover spin states Stereoisomerism Thermodynamics
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