Binding information for 1waw_ligand_1_5.mol2(FDBF01116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1waw_ligand_1_5.mol2 | 1waw | 0.4375 | -6.12 | Cc1c[nH+]c[nH]1 | 6 |
Structure and binding mode of 1waw_ligand_1_5.mol2(FDBF01116)
Important binding residues for 1waw_ligand_1_5.mol2(FDBF01116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1waw | TYR27 | -1.03 | 0.21 | -0.82 | 0.26 | -0.57 |
| 1waw | ALA183 | -0.51 | 0.05 | -0.46 | -0.16 | -0.61 |
| 1waw | MET210 | -1.07 | 0.22 | -0.85 | 0.44 | -0.41 |
| 1waw | TRP360 | -2.16 | 0.35 | -1.81 | 0.67 | -1.14 |
