Binding information for 3hfv_ligand_1_1.mol2(FDBF02914)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hfv_ligand_1_1.mol2 | 3hfv | 1 | -7.00 | Cc1cccc(c1)O | 8 |
Structure and binding mode of 3hfv_ligand_1_1.mol2(FDBF02914)
Important binding residues for 3hfv_ligand_1_1.mol2(FDBF02914)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hfv | GLU159 | 1.07 | -11.83 | -10.76 | 8.07 | -2.69 |
| 3hfv | PHE232 | -1.18 | -0.30 | -1.48 | 0.56 | -0.92 |
| 3hfv | PHE234 | -0.51 | -0.39 | -0.9 | 0.38 | -0.52 |
| 3hfv | THR235 | -0.59 | -0.30 | -0.89 | 0.37 | -0.52 |
| 3hfv | GLY254 | -1.27 | 0.41 | -0.86 | -0.38 | -1.24 |
| 3hfv | CYS255 | -1.01 | -0.54 | -1.55 | 0.33 | -1.22 |
| 3hfv | ALA275 | -0.81 | -0.58 | -1.39 | -0.35 | -1.75 |
| 3hfv | PHE276 | -1.29 | -0.91 | -2.2 | 0.04 | -2.16 |
| 3hfv | GLY277 | -1.00 | 0.44 | -0.56 | 0.07 | -0.50 |
