Studies on 16α-Hydroxylation of Steroid Molecules and Regioselective Binding Mode in Homology-Modeled Cytochrome P450-2C11

Table 1

Percentage of sequence identity of the pairwise alignment of various template sequences with the target protein sequence (CYP2C11).

Crystal structures	PDB code and chain^c	% identity	Crystal structures	PDB code	% identity
CYP2C9-flurbiprofen	1r9oA	83.46	CYP2A6-methoxsalen	1z11D	52.7
CYP2C9-warfarin	1og5A	75.9	CYP2A6-coumarin	1z10A	52.6
CYP2C9	1og2A	75.9	CYP2A6-coumarin	1z10B	52.3
CYP2C9-warfarin	1og5B	75.9	CYP2A6-coumarin	1z10C	52.7
CYP2C9	1og2B	75.9	CYP2A6-coumarin	1z10D	52.7
CYP2C8	1pq2A	74.3	CYP3A4	1tqnA	28.02
CYP2C8	1pq2B	74.3	CYP3A4-progesterone	1w0fA	30.05
CYP2C5/3LVdH-DMZ^a	1n6b	73.95	CYP3A4-metyrapone	1w0gA	34.25
CYP2C5/3LVdH-diclofenac	1nr6A	73.95	CYP3A4	1w0eA	28.2
CYP2C5	1dt6A	71.96	CYP51-Estriol	1x8vA	23.33
CYP2B4-CPZ^b	1suoA	55.1	CYP51	1h5zA	23.9
CYP2B4	1po5A	54.9	C37L/C151T/C442A-triplet mutant of CYP51	1u13A	23.9
CYP2A6-methoxsalen	1z11A	52.2	CYP51-4-phenylimidazole	1e9xA	23.9
CYP2A6-methoxsalen	1z11B	52.6	CYP51-fluconazole	1ea1A	23.9
CYP2A6-methoxsalen	1z11C	52.7

^aDMZ: 4-Methyl-N-methyl-N-(2-phenyl-2H-pyrazol-3-yl)benzenesulfonamide.
^bCPZ: 4-(4-Chlorophenyl)-imidazole.
^cThe first four symbols represent PDB code and the last symbol, A, B, C, or D, represents the amino acid chain involved in sequence alignments.