Table 5. Amide Hydrogen and Thiolate Bond Distances and N–H···S Angles for the Three Heme Pocket Residues C-Terminal to Cys (Cys-X1-Gly-X3).
| bond
distancea (H···S) (Å) |
angle (N–H···S) (deg) |
|||||||
|---|---|---|---|---|---|---|---|---|
| P450 (PDB entry) | P450 class | resolution (Å) | X1 | G | X3 | X1 | G | X3 |
| Fe3+ cam (2CPP) | I | 1.63 | 3.7 | 2.5 | 3.2 | 73 | 129 | 91 |
| 11A1 (3N9Y) | I | 2.1 | 3.6 | 2.6 | 3.1 | 73 | 123 | 89 |
| 2B4 (1SUO) | II | 1.6 | 3.7 | 2.5 | 3.4 | 77 | 137 | 88 |
| 2B4 F429H/4-CPI | II | 2.4 | 3.7 | 2.6 | 3.4 | 76 | 129 | 82 |
| 1A2 (2HI4) | II | 1.95 | 3.5 | 2.3 | 3.2 | 76 | 147 | 89 |
| 102 μB3 (2J1M) | II | 1.7 | 3.8 | 2.5 | 3.3 | 73 | 133 | 92 |
| 3A4 (3UA1) | II | 2.15 | 3.9 | 2.8 | 3.4 | 75 | 128 | 83 |
| 176A1cin (4FMX) | II | 1.55 | 3.6 | 2.6 | 3.4 | 77 | 136 | 87 |
| 152B1 SPα (3AWM) | III | 1.65 | Pro | 2.3 | 3.8 | Pro | 146 | 93 |
| 74A AOS (2RCH) | III | 1.85 | 3.7 | 2.5 | 3.6 | 75 | 140 | 85 |
| 8A1 (2B99) | III | 2.50 | Pro | 2.6 | 3.3 | Pro | 133 | 102 |
| 55NOR (1JFB) | IV | 1.0 | 3.6 | 2.6 | 3.5 | 81 | 140 | 87 |
| mean ± standard deviation | 3.7 ± 0.1 | 2.5 ± 0.1 | 3.3 ± 0.2 | 74 ± 3 | 137 ± 8 | 90 ± 6 | ||
a
Hydrogen atoms were calculated in COOT.