Binding information for 1w83_ligand_2_0.mol2(FDBF03178)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w83_ligand_2_0.mol2 | 1w83 | 0.692308 | -6.88 | OCc1c(Cl)cccc1 | 9 |
Structure and binding mode of 1w83_ligand_2_0.mol2(FDBF03178)
Important binding residues for 1w83_ligand_2_0.mol2(FDBF03178)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w83 | VAL38 | -0.58 | -0.10 | -0.68 | 0.04 | -0.65 |
| 1w83 | ALA51 | -0.85 | 0.13 | -0.72 | -0.19 | -0.90 |
| 1w83 | VAL52 | -0.43 | -0.08 | -0.51 | 0.07 | -0.44 |
| 1w83 | LYS53 | -1.85 | -0.39 | -2.24 | 0.55 | -1.69 |
| 1w83 | ILE84 | -0.74 | -0.19 | -0.93 | 0.13 | -0.79 |
| 1w83 | LEU104 | -0.99 | 0.59 | -0.4 | -0.32 | -0.72 |
| 1w83 | VAL105 | -0.34 | -0.39 | -0.73 | 0.11 | -0.63 |
| 1w83 | THR106 | -0.91 | -0.99 | -1.9 | 0.55 | -1.35 |
| 1w83 | LEU167 | -0.70 | 0.02 | -0.68 | -0.10 | -0.78 |
| 1w83 | PHE169 | -0.71 | 0.08 | -0.63 | 0.17 | -0.45 |
