Density-functional investigation on the mechanism of H-atom abstraction by lipoxygenase

@article{Lehnert2002DensityfunctionalIO,
  title={Density-functional investigation on the mechanism of H-atom abstraction by lipoxygenase},
  author={Nicolai Lehnert and Edward I. Solomon},
  journal={JBIC Journal of Biological Inorganic Chemistry},
  year={2002},
  volume={8},
  pages={294-305}
}
Using experimentally calibrated density functional calculations on models of the active site of soybean lipoxygenase 1 (SLO-1), insight has been obtained into the coordination flexibility of the iron active site and its molecular mechanism of catalysis. The ferrous form of SLO-1 shows a variation in coordination number in solution that is related to a… CONTINUE READING