Evidence for basic ferryls in cytochromes P450.

  title={Evidence for basic ferryls in cytochromes P450.},
  author={Rachel K. Behan and Lee M Hoffart and Kari L. Stone and Carsten Krebs and Michael T. Green},
  journal={Journal of the American Chemical Society},
  volume={128 35},
Using a combination of Mössbauer spectroscopy and density functional calculations, we have determined that the ferryl forms of P450(BM3) and P450cam are protonated at physiological pH. Density functional calculations were performed on large active-site models of these enzymes to determine the theoretical Mössbauer parameters for the ferryl and protonated ferryl (Fe(IV)OH) species. These calculations revealed a significant enlargement of the quadrupole splitting parameter upon protonation of the… CONTINUE READING