Ontology highlight
ABSTRACT:
SUBMITTER: Sen K
PROVIDER: S-EPMC3326664 | biostudies-literature | 2012 Apr
REPOSITORIES: biostudies-literature
Sen Kakali K Hackett John C JC
Biochemistry 20120327 14
Aromatase (CYP19) catalyzes the terminal step in estrogen biosynthesis, which requires three separate oxidation reactions, culminating in an enigmatic aromatization that converts an androgen to an estrogen. A stable ferric peroxo (Fe(3+)O(2)(2-)) intermediate is seen by electron paramagnetic resonance, but its role in this complex reaction remains controversial. Combining molecular dynamics simulation and hybrid quantum mechanics/molecular mechanics, we show that ferric peroxo addition to the 19 ...[more]