TABLE 1.
Estimated parameters for CYP26A1 and CYP26B1 homology models
| Parameter | CYP26A1 Model | CYP26B1 Model |
|---|---|---|
| Template | CYP120 (pdb 2VE3) | CYP120 (pdb 2VE3) |
| Template sequence identity | 33% | 34% |
| Template positive sequence coverage | 53% | 54% |
| BLAST query coverage | 89% | 89% |
| BLAST E-Value | 2e-82 | 6e-91 |
| RMSD versus template | 1.038 | 1.168 |
| Favorable bond angles | 86.2% | 95.0% |
| Allowable and favorable bond angles | 98.9% | 98.3% |
| I-Helix residues | M287–L318 | M283–A304 |
| Active-site volume | 918.01 Å3 | 976.86 Å3 |
| at-RA docking score (4-(S)-OH) | −9.552 | −4.999 |
| at-RA distance from heme (4-(S)-OH) | 3.85 Å | 2.99 Å |
| at-RA docking score (4-(R)-OH) | N/A | −4.128 |
| at-RA distance from heme (4-(R)-OH) | N/A | 4.06 Å |
| at-RA docking score (16-OH) | −9.552 | −4.488 |
| at-RA distance from heme (16-OH) | 3.49 Å | 2.77 Å |
| at-RA docking score (18-OH) | −9.552 | −4.435 |
| at-RA distance from heme (18-OH) | 5.10 Å | 3.10 Å |
| Tazarotenic acid docking score | −11.016 | −9.172 |
| Tazarotenic acid distance from heme | 4.21 Å (to sulfur) | 4.11 Å (to sulfur) |
| Tazarotenic acid sulfoxide docking score | −11.912 | −9.843 |
| Tazarotenic acid sulfoxide distance from heme | 4.38 (to sulfur) | 3.58 Å (to sulfur) |