Table 3.
MD calculation of atomic distances (Å).
| Mutant CYP11B1 |
Wild type CYP11B1 |
CYP11B2 |
||||
|---|---|---|---|---|---|---|
| DOC | PDB (7E7F) Metyrapone |
DOC | PDB (6M7X) (S)-Fadrozole |
DOC | PDB (4DVQ) DOC | |
| HEME FE-DOC C11 | 4.8 ± 0.3 | 4.9 ± 0.3 | 4.6 ± 0.3 | 4.2 | ||
| HEME FE-DOC C18 | 5.8 ± 0.4 | 5.7 ± 0.3 | 5.0 ± 0.4 | 5.0 | ||
| R120 NH1-E310 OE1 | 5.0 ± 0.1 | 4.8 | 3.2 ± 0.7 | 5.0 | 5.3 ± 1.3 | 6.3 |
| R120 NH1-E310 OE2 | 2.8 ± 0.1 | 2.7 | 3.5 ± 0.8 | 2.9 | 6.5 ± 1.4 | 4.6 |
| R120 NH2-E310 OE1 | 4.8 ± 0.1 | 5.1 | 3.6 ± 0.7 | 5.3 | 6.4 ± 1.6 | 8.4 |
| R120 NH2-E310 OE2 | 2.9 ± 0.2 | 3.3 | 3.4 ± 0.8 | 3.6 | 7.4 ± 1.7 | 6.5 |
Data are presented as mean ± standard deviation.