Binding information for 5d1w_ligand_5_1266.mol2(FDBF00116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1w_ligand_5_1266.mol2 | 5d1w | 1 | -6.47 | CC/C=C/CC | 6 |
Structure and binding mode of 5d1w_ligand_5_1266.mol2(FDBF00116)
Important binding residues for 5d1w_ligand_5_1266.mol2(FDBF00116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1w | LEU78 | -0.52 | 0.06 | -0.46 | -0.15 | -0.61 |
| 5d1w | ALA79 | -0.95 | 0.04 | -0.91 | 0.00 | -0.91 |
| 5d1w | LEU82 | -0.74 | -0.07 | -0.81 | -0.06 | -0.88 |
| 5d1w | VAL83 | -0.39 | 0.01 | -0.38 | -0.05 | -0.43 |
| 5d1w | VAL173 | -0.65 | 0.00 | -0.65 | 0.05 | -0.60 |
| 5d1w | CYS176 | -0.64 | 0.01 | -0.63 | 0.03 | -0.59 |
| 5d1w | LEU177 | -1.09 | -0.04 | -1.13 | 0.03 | -1.10 |
| 5d1w | VAL180 | -0.53 | 0.02 | -0.51 | -0.13 | -0.64 |
