title: Stereospecific oxidation by compound I of cytochrome P450 does not proceed in a concerted synchronous manner.
abstract: Calculations show that the transition structure for the synchronous oxygen transfer by Compound I is a second order saddle point. The process is unlikely.
authors.affiliation: Department of Organic Chemistry, Lise Meitner-Minerva Center for Computational Quantum Chemistry, Hebrew University of Jerusalem, 91904 Jerusalem, Israel.
authors.forename: S P
authors.initials: SP
authors.lastname: de Visser
authors.forename: F
authors.initials: F
authors.lastname: Ogliaro
authors.forename: S
authors.initials: S
authors.lastname: Shaik
mesh_terms: D003577:Cytochrome P-450 Enzyme System / Q000737:chemistry / Q000378:metabolism*; D004579:Electron Transport; D004852:Epoxy Compounds / Q000737:chemistry; D058085:Iron Compounds / Q000737:chemistry; D008958:Models, Molecular; D015394:Molecular Structure; D010084:Oxidation-Reduction; D013237:Stereoisomerism
chemical_list: D004852:Epoxy Compounds; D058085:Iron Compounds; D003577:Cytochrome P-450 Enzyme System