Binding information for 3ftv_ligand.mol2(FDBF06004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftv_ligand.mol2 | 3ftv | 0.65 | -8.17 | n1cc(ccc1)CNc1ccccc1 | 15 |
Structure and binding mode of 3ftv_ligand.mol2(FDBF06004)
Important binding residues for 3ftv_ligand.mol2(FDBF06004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ftv | GLN136 | -1.48 | -1.10 | -2.58 | 1.02 | -1.56 |
| 3ftv | ALA137 | -1.20 | -0.15 | -1.35 | 0.11 | -1.25 |
| 3ftv | PHE314 | -2.64 | -0.56 | -3.2 | 0.88 | -2.32 |
| 3ftv | VAL367 | -0.81 | -0.12 | -0.93 | 0.02 | -0.91 |
| 3ftv | LEU369 | -0.86 | -0.12 | -0.98 | 0.26 | -0.72 |
| 3ftv | PRO374 | -1.26 | -1.90 | -3.16 | 1.20 | -1.95 |
| 3ftv | ALA377 | -0.94 | -0.20 | -1.14 | 0.17 | -0.97 |
| 3ftv | TYR378 | -1.98 | -0.26 | -2.24 | 0.50 | -1.75 |
| 3ftv | PRO382 | -0.91 | -0.03 | -0.94 | 0.04 | -0.90 |
