Binding information for 5d1w_ligand_5_825.mol2(FDBF00116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1w_ligand_5_825.mol2 | 5d1w | 1 | -6.64 | C(C)/C=C/CC | 6 |
Structure and binding mode of 5d1w_ligand_5_825.mol2(FDBF00116)
Important binding residues for 5d1w_ligand_5_825.mol2(FDBF00116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1w | ALA79 | -0.38 | -0.00 | -0.38 | 0.05 | -0.33 |
| 5d1w | LEU82 | -0.88 | -0.02 | -0.9 | 0.03 | -0.86 |
| 5d1w | VAL83 | -1.09 | -0.07 | -1.16 | -0.07 | -1.23 |
| 5d1w | VAL86 | -0.30 | 0.01 | -0.29 | -0.11 | -0.40 |
| 5d1w | PHE108 | -1.03 | 0.16 | -0.87 | 0.24 | -0.63 |
| 5d1w | ILE172 | -0.58 | -0.00 | -0.58 | 0.14 | -0.44 |
| 5d1w | VAL173 | -0.94 | 0.01 | -0.93 | 0.09 | -0.84 |
| 5d1w | CYS176 | -1.17 | -0.05 | -1.22 | 0.21 | -1.01 |
| 5d1w | LEU177 | -0.40 | 0.03 | -0.37 | -0.02 | -0.39 |
