Binding information for 1qbv_ligand_1_7.mol2(FDBF00372)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qbv_ligand_1_7.mol2 | 1qbv | 1 | -6.05 | Nc1ccncc1 | 7 |
Structure and binding mode of 1qbv_ligand_1_7.mol2(FDBF00372)
Important binding residues for 1qbv_ligand_1_7.mol2(FDBF00372)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qbv | ALA190 | -1.19 | -0.09 | -1.28 | 0.15 | -1.13 |
| 1qbv | CYS191 | -0.96 | 0.24 | -0.72 | 0.21 | -0.52 |
| 1qbv | VAL213 | -0.52 | 0.07 | -0.45 | -0.10 | -0.55 |
| 1qbv | SER214 | -0.32 | -0.51 | -0.83 | 0.51 | -0.32 |
| 1qbv | TRP215 | -1.21 | -0.48 | -1.69 | 0.14 | -1.56 |
| 1qbv | GLY216 | -1.15 | -0.28 | -1.43 | 0.54 | -0.89 |
| 1qbv | CYS220 | -0.63 | -0.54 | -1.17 | 0.26 | -0.91 |
| 1qbv | GLY226 | -0.52 | -0.28 | -0.8 | 0.11 | -0.68 |
