DENSITY-FUNCTIONAL STUDY ON POSSIBLE PEROXO FORM OF NONHEME DIIRON ENZYME MODEL

Authors
YOSHIZAWA K YOKOMICHI Y SHIOTA Y OHTA T YAMABE T
Citation
K. Yoshizawa et al., DENSITY-FUNCTIONAL STUDY ON POSSIBLE PEROXO FORM OF NONHEME DIIRON ENZYME MODEL, Chemistry Letters, (7), 1997, pp. 587-588
Citations number
20
Categorie Soggetti
Chemistry
Journal title
Chemistry Letters → ACNP
ISSN journal
03667022
Issue
7
Year of publication
1997
Pages
587 - 588
Database
ISI
SICI code
0366-7022(1997):7<587:DSOPPF>2.0.ZU;2-6
Abstract
Dioxygen binding to the active dinuclear iron site of methane monooxyg enase (MMO) is theoretically analyzed with a density functional method . The mu-eta(1):eta(1)-O-2 mode was calculated to be the most favorabl e binding mode of dioxygen to a supposed active site of MMO that conta ins two five-coordinate irons(II).