Cytochrome P450 heme parameters

We derived parameters for the heme group and the proximal cysteine ligand in the ferric form of cytochrome P450 for our simulation studies.
-For the GROMOS87 united atom force field, the parameters are listed in reference [1] and can be found here.


[1]V.Helms and R.C.Wade Thermodynamics of Water Mediating Protein-Ligand Interactions in Cytochrome P450cam: A Molecular Dynamics Study Biophys. J. (1995) 69, 810-824.

[2]Lounnas,V. and Wade,R.C. The exceptionally stable salt-bridges in cytochrome P450cam have functional roles Biochemistry (1997) 36, 5402-5417.

Last Updated: October 1, 2001 11:36 am