Binding information for 3hfz_ligand_1_1.mol2(FDBF02914)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hfz_ligand_1_1.mol2 | 3hfz | 1 | -7.03 | Cc1cccc(c1)O | 8 |
Structure and binding mode of 3hfz_ligand_1_1.mol2(FDBF02914)
Important binding residues for 3hfz_ligand_1_1.mol2(FDBF02914)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hfz | THR179 | -0.08 | -0.15 | -0.23 | -0.13 | -0.37 |
| 3hfz | GLN183 | -0.38 | -0.61 | -0.99 | 0.42 | -0.57 |
| 3hfz | PHE258 | -1.06 | -0.14 | -1.2 | 0.36 | -0.85 |
| 3hfz | PHE260 | -0.97 | -0.41 | -1.38 | 0.45 | -0.92 |
| 3hfz | GLY282 | -1.02 | 0.92 | -0.1 | -0.24 | -0.33 |
| 3hfz | ALA283 | -0.40 | 0.06 | -0.34 | -0.14 | -0.47 |
| 3hfz | ALA314 | -0.93 | -0.20 | -1.13 | -0.27 | -1.39 |
| 3hfz | PHE315 | -1.43 | -0.35 | -1.78 | -0.10 | -1.89 |
| 3hfz | GLY316 | -1.17 | 0.32 | -0.85 | 0.43 | -0.42 |
