Binding information for 3fh7_ligand_1_0.mol2(FDBF01437)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh7_ligand_1_0.mol2 | 3fh7 | 1 | -7.00 | c1cc(Cl)ccc1O | 8 |
Structure and binding mode of 3fh7_ligand_1_0.mol2(FDBF01437)
Important binding residues for 3fh7_ligand_1_0.mol2(FDBF01437)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fh7 | PHE314 | -1.42 | 0.23 | -1.19 | 0.04 | -1.14 |
| 3fh7 | VAL367 | -0.88 | -0.14 | -1.02 | 0.09 | -0.93 |
| 3fh7 | LEU369 | -0.65 | -0.17 | -0.82 | 0.24 | -0.58 |
| 3fh7 | ALA377 | -0.92 | -0.29 | -1.21 | 0.19 | -1.03 |
| 3fh7 | TYR378 | -0.76 | -0.05 | -0.81 | 0.38 | -0.43 |
| 3fh7 | PRO382 | -0.81 | -0.23 | -1.04 | 0.22 | -0.82 |
