Binding information for 4hvs_ligand_1_5.mol2(FDBF00162)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hvs_ligand_1_5.mol2 | 4hvs | 1 | -7.16 | c1ccc(cc1)C(F)(F)F | 10 |
Structure and binding mode of 4hvs_ligand_1_5.mol2(FDBF00162)
Important binding residues for 4hvs_ligand_1_5.mol2(FDBF00162)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hvs | TRP557 | -1.21 | -0.20 | -1.41 | 0.98 | -0.43 |
| 4hvs | LEU644 | -0.67 | 0.25 | -0.42 | -0.16 | -0.57 |
| 4hvs | ILE653 | -0.99 | -0.16 | -1.15 | 0.02 | -1.14 |
| 4hvs | VAL654 | -1.00 | -0.82 | -1.82 | 1.06 | -0.76 |
| 4hvs | ILE808 | -0.93 | -0.24 | -1.17 | 0.28 | -0.89 |
| 4hvs | CYS809 | -1.49 | -0.36 | -1.85 | -0.04 | -1.88 |
| 4hvs | ASP810 | -0.85 | -1.51 | -2.36 | 1.83 | -0.54 |
