Binding information for 5d1w_ligand_2_0.mol2(FDBF03864)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1w_ligand_2_0.mol2 | 5d1w | 0.722222 | -6.16 | C/C=C/C(=O)O | 6 |
Structure and binding mode of 5d1w_ligand_2_0.mol2(FDBF03864)
Important binding residues for 5d1w_ligand_2_0.mol2(FDBF03864)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1w | PHE101 | -0.83 | 0.50 | -0.33 | -0.69 | -1.02 |
| 5d1w | GLN103 | -0.08 | -1.42 | -1.5 | 1.12 | -0.39 |
| 5d1w | GLY104 | 0.17 | -5.58 | -5.41 | 2.44 | -2.97 |
| 5d1w | PHE108 | -0.73 | -1.25 | -1.98 | 1.32 | -0.66 |
| 5d1w | ILE172 | -0.60 | -0.64 | -1.24 | 0.53 | -0.72 |
