4-Hydroxyphenylpyruvate dioxygenase: a hybrid density functional study of the catalytic reaction mechanism.

@article{Borowski20044HydroxyphenylpyruvateDA,
  title={4-Hydroxyphenylpyruvate dioxygenase: a hybrid density functional study of the catalytic reaction mechanism.},
  author={Tomasz Borowski and Arianna Bassan and Per E. M. Siegbahn},
  journal={Biochemistry},
  year={2004},
  volume={43 38},
  pages={
          12331-42
        }
}
Density functional calculations using the B3LYP functional has been used to study the reaction mechanism of 4-hydroxyphenylpyruvate dioxygenase. The first part of the catalytic reaction, dioxygen activation, is found to have the same mechanism as in alpha-ketoglutarate-dependent enzymes; the ternary enzyme-substrate-dioxygen complex is first decarboxylated to the iron(II)-peracid intermediate, followed by heterolytic cleavage of the O-O bond yielding an iron(IV)-oxo species. This highly… CONTINUE READING
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