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Molecular interactions detected by BINANA for the N7F inhibitor at DPP-4 (PDB code: 4A5S).
| Residue | Interaction in Chain A | Interaction in Chain B |
|---|---|---|
| Glu205 | HB/SB | SB |
| Phe357 | - | HC |
| Val546 | HC | - |
| Tyr547 | HC | HC/PIS |
| Lys554 | - | HC |
| Trp627 | HC | HC |
| Gly628 | HC | HC |
| Trp629 | HC/PIS | HC |
| Ser630 | HC | HC |
| Tyr631 | HB | HB/HC |
| Val656 | - | HC |
| Tyr662 | HC | HC/PIS |
| Asp663 | - | SB |
| Tyr666 | HC/PIT | HC |
| Val711 | HB | - |
HC: hydrophobic contact; PIT: π-π T-shaped; PIS: π-π stacking; HB: Hydrogen bridge; SB: salt bridge; CPI: cation-π
