Table 3. Distance (Å) of 3-Phenylcoumarin Positions 2 and 7 to Selected CYP1 Residues with Standard Deviations.
position 7 to heme iron |
position 2 carbonyl to S122 (CYP1A1) or T124 (CYP1A2) hydroxyl
oxygen or A133 methyl carbon (CYP1B1) |
|||||
---|---|---|---|---|---|---|
compound | CYP1A1 | CYP1A2 | CYP1B1 | CYP1A1 | CYP1A2 | CYP1B1 |
13 | 4.5 ± 0.4 | 5.0 ± 0.6 | 4.9 ± 0.8 | 3.2 ± 0.8 | 5.4 ± 0.8 | 6.0 ± 1.2 |
14 | 4.1 ± 0.3 | 5.1 ± 0.3 | 4.6 ± 0.5 | 8.0 ± 0.5 | 9.8 ± 0.4 | 9.1 ± 0.8 |
15 | 5.5 ± 0.9 | 4.3 ± 0.5 | 5.2 ± 0.4 | 6.9 ± 1.1 | 5.3 ± 0.7 | 4.1 ± 0.5 |
16 | 4.5 ± 0.7 | 5.4 ± 0.4 | 4.5 ± 0.4 | 4.9 ± 1.5 | 6.3 ± 0.5 | 5.2 ± 1.0 |
17 | 4.7 ± 0.6 | 5.3 ± 0.5 | 5.1 ± 0.4 | 5.2 ± 1.1 | 6.3 ± 0.6 | 6.6 ± 0.5 |
18 | 4.1 ± 0.6 | 4.1 ± 0.5 | 4.4 ± 0.5 | 2.8 ± 0.3 | 6.5 ± 0.6 | 3.6 ± 0.3 |
19 | 5.0 ± 0.5 | 4.7 ± 0.3 | 6.8 ± 0.7 | 5.8 ± 0.8 | 5.1 ± 0.5 | 8.0 ± 0.8 |
20 | 3.9 ± 0.4 | 4.6 ± 0.5 | 4.4 ± 0.4 | 3.2 ± 0.7 | 5.1 ± 1.0 | 5.4 ± 0.5 |
21 | 4.4 ± 0.5 | 4.7 ± 0.5 | 4.8 ± 0.5 | 5.9 ± 0.7 | 5.8 ± 0.7 | 6.0 ± 0.7 |
22 | 4.3 ± 0.5 | 6.1 ± 1.2 | 4.4 ± 0.4 | 3.5 ± 0.8 | 6.7 ± 1.4 | 3.4 ± 0.3 |
23 | 4.5 ± 0.5 | 4.0 ± 0.4 | 4.7 ± 0.5 | 2.8 ± 0.4 | 5.0 ± 0.6 | 4.8 ± 0.6 |
average | 4.5 | 4.8 | 4.9 | 4.8 | 6.1 | 5.6 |