Elektronnye faktory v svoǐstvakh tsitokhroma P-450 i mekhanizmy aktivatsii molekuliarnogo kisloroda.

Translated title of the contribution: Electron factors in the properties of cytochrome P-450 and mechanism of activation of molecular oxygen

S. S. Stavrov, I. P. Dikusar, I. P. Bersuker

Research output: Contribution to journalArticlepeer-review

Abstract

A quantum-chemical calculation was carried out for the electronic structures of coordination compounds of general formula: FeP(L1)(L2) (P--porphin; L1 = SHCH3, [SCH3]-, [SC6F4H]-; L2 = CO, NO, O2), modeling the active site of cytochrome P450. It was shown that Coulomb repulsion between the electrons of the sulfur lone pair leads to the transfer of the electronic density from the ligands L1 = [SCH3]- or [SC6F4H]- to the porphyrin of/and to the L2 ligand. This explains the origin of the band at 450 nm in the absorption spectra of the complexes of cytochrome P450 with CO, the absence of such a band in those with O2, and the strong activation of dioxygen by cytochrome P450.

Translated title of the contributionElectron factors in the properties of cytochrome P-450 and mechanism of activation of molecular oxygen
Original languageRussian
Pages (from-to)338-346
Number of pages9
JournalMolekulyarnaya Biologiya
Volume21
Issue number2
StatePublished - Mar 1987

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