Binding information for 5d1w_ligand_5_1161.mol2(FDBF00116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1w_ligand_5_1161.mol2 | 5d1w | 1 | -6.57 | C(=C\CC)/CC | 6 |
Structure and binding mode of 5d1w_ligand_5_1161.mol2(FDBF00116)
Important binding residues for 5d1w_ligand_5_1161.mol2(FDBF00116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1w | ALA79 | -0.62 | -0.03 | -0.65 | 0.08 | -0.57 |
| 5d1w | LEU82 | -0.98 | -0.04 | -1.02 | -0.04 | -1.05 |
| 5d1w | VAL83 | -0.74 | 0.04 | -0.7 | -0.07 | -0.77 |
| 5d1w | PHE108 | -0.81 | 0.01 | -0.8 | 0.25 | -0.54 |
| 5d1w | LEU149 | -0.45 | -0.02 | -0.47 | 0.12 | -0.35 |
| 5d1w | VAL173 | -0.93 | -0.10 | -1.03 | 0.10 | -0.93 |
| 5d1w | CYS176 | -0.75 | 0.02 | -0.73 | 0.15 | -0.58 |
| 5d1w | LEU177 | -0.59 | -0.04 | -0.63 | 0.02 | -0.61 |
