Hydrogen bonds observed between PFI-2 and key residues of hSETD7a.
| Donor | DonorH | Acceptor | Frac | AvgDist | AvgAng |
|---|---|---|---|---|---|
| (R)-PFI-2 | |||||
| GLY336@N | GLY336@H | LIG@O1 | 0.61 | 2.832 | 159.9947 |
| SER268@N | SER268@H | LIG@O2 | 0.15 | 2.915 | 161.7102 |
| LIG@N2 | LIG@H16 | GLY336@O | 0.49 | 2.886 | 147.302 |
| (S)-PFI-2 | |||||
| GLY336@N | GLY336@H | LIG@O1 | 0.47 | 2.872 | 155.8762 |
| SER268@N | SER268@H | LIG@O2 | 0.19 | 2.889 | 149.7309 |
| THR266@OG1 | THR266@HG1 | LIG@O3 | 0.12 | 2.832 | 156.0332 |
| LIG@N2 | LIG@H16 | THR266@O | 0.68 | 2.873 | 162.9637 |
a
Angle cutoff for hydrogen bonds >135°, distance cutoff for hydrogen bonds (D–H–A) <3.5 Å.