Ontology highlight
ABSTRACT:
SUBMITTER: Sen K
PROVIDER: S-EPMC3326664 | biostudies-literature | 2012 Apr
REPOSITORIES: biostudies-literature
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]