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Molecular modelling of CYP4A subfamily members based on sequence homology with CYP102
1Molecular Toxicology Group, School of Biological Sciences, University of Surrey, UK. d.lewis@surrey.ac.uk
Xenobiotica; the Fate of Foreign Compounds in Biological Systems
|December 20, 1999
Abstract:
1. Homology modelling of various members of the CYP4A subfamily based on the CYP102 template structure is reported. 2. The binding interactions of specific substrates to the CYP4A forms from rat (CYP4A1), human (CYP4A11) and rabbit (CYP4A4) are shown to be consistent with experimental evidence regarding regioselectivity of metabolism. 3. The differences in substrate specificity between CYP4A1, CYP4A11 and CYP4A4 towards fatty acids and prostaglandins respectively are rationalized in terms of variations in active site amino residues.