Determinants of the spin state of the resting state of cytochrome P450cam

@article{Harris1993DeterminantsOT,
  title={Determinants of the spin state of the resting state of cytochrome P450cam},
  author={D. Harris and G. Loew},
  journal={Journal of the American Chemical Society},
  year={1993},
  volume={115},
  pages={8775-8779}
}
  • D. Harris, G. Loew
  • Published 1993
  • Chemistry
  • Journal of the American Chemical Society
The origin of the low-spin ground state of the substrate-free ferric resting state of cytochrome P450 cam has been investigated with use of the combined techniques of restricted open-shell Hartree-Fock INDO/S calculations together with molecular dynamics. The presence of water as the heme-iron ligand, while resulting in a small energy separation of the S=5/2 and 1/2 ferric heme spin states, is by itself insufficient to explain the experimentally observed low-spin resting state. However, the… Expand
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