Binding information for 5d1w_ligand_3_0.mol2(FDBF05990)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1w_ligand_3_0.mol2 | 5d1w | 0.947368 | -6.38 | CC/C=C/C(=O)O | 7 |
Structure and binding mode of 5d1w_ligand_3_0.mol2(FDBF05990)
Important binding residues for 5d1w_ligand_3_0.mol2(FDBF05990)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1w | VAL83 | -0.46 | 0.97 | 0.51 | -1.05 | -0.54 |
| 5d1w | PHE101 | -0.84 | 0.48 | -0.36 | -0.67 | -1.03 |
| 5d1w | GLN103 | -0.08 | -1.43 | -1.51 | 1.12 | -0.38 |
| 5d1w | GLY104 | 0.15 | -5.57 | -5.42 | 2.45 | -2.97 |
| 5d1w | PHE108 | -0.67 | -1.21 | -1.88 | 1.34 | -0.54 |
| 5d1w | ILE172 | -0.85 | -0.65 | -1.5 | 0.58 | -0.92 |
