Pem. Siegbahn et al., MECHANISM OF METHANE MONOOXYGENASE - A STRUCTURAL AND QUANTUM-CHEMICAL PERSPECTIVE, JBIC. Journal of biological inorganic chemistry, 3(3), 1998, pp. 314-317
The diiron site of methane monooxygenase (MMO) has the unique ability
to activate methane. Structural studies of the MMO diiron site have re
vealed a limited number of coordination sites for dioxygen and dioxyge
n derived species. Using quantum mechanical studies of the MMO reactio
n, several possible reaction paths have been investigated. Energetical
ly feasible geometries have been obtained for the different reaction s
teps, where the substrate activation is best described by an almost pu
re hydrogen abstraction step, followed by the fort-nation of a metal-c
arbon bond.