Table 2.
Comparison of hydrogen bond distances between 2L8M and REP1 in the I helix and the β3-K’ helix junction regions. Differences (Δ) are reported as 2L8M - REP1, so a negative value for Δ indicates closer approach in REP1 (substrate-free form).
| 2L8M (distance in Å) | REP1 (distance in Å) | Δ | |
|---|---|---|---|
| I helix | |||
| Leu 244 C=O → Gly 248 NH | 1.85 | 1.97 | +0.12 |
| Leu 245 C=O → Gly 249 NH | 1.80 | 2.10 | +0.30 |
| Leu 246 C=O → Leu 250 NH | 2.49 | 1.81 | −0.68 |
| Val 247 C=O → Asp 251 NH | 2.14 | 2.12 | −0.02 |
| Val 247 C=O → Thr 252 NH | 2.21 | 2.46 | +0.25 |
| Gly 248 C=O → Thr 252 NH | 3.16 | 2.68 | −0.48 |
| Gly 248 C=O → Val 253 NH | 2.25 | 2.49 | +0.24 |
| β3-K’ helix | |||
| Pro 321 C=O → Leu 324 NH | 2.09 | 2.14 | +0.05 |
| Pro 321 C=O → Ser 325 NH | 2.93 | 2.22 | −0.71 |
| Gln 322 C=O → Ser 325 NH | 2.03 | 2.29 | +0.26 |
| Gln 322 C=O → Ser 325 OγH | 1.93 | 5.01 | +3.08 |
| Ser 325 OyH → Thr 348 Oγ | 2.59 | 1.83 | −0.76 |
| Ser 325 Oy → Thr 348 NH | 1.85 | 3.68 | +1.83 |
| Gln 322 C=O → Gly 326 NH | 1.92 | 3.60 | +1.68 |
| Met 323 C=O → Leu 327 NH | 1.97 | 3.30 | +1.33 |
| Leu 324 C=O → Asp 328 NH | 4.02 | 2.43 | −1.59 |
| Ser 325 C=O → Asp 328 NH | 2.24 | 2.93 | +0.69 |