Binding information for 1dif_ligand_3_17.mol2(FDBF04049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dif_ligand_3_17.mol2 | 1dif | 1 | -6.18 | C(C)(C)CNC(=O)N(C)C | 10 |
Structure and binding mode of 1dif_ligand_3_17.mol2(FDBF04049)
Important binding residues for 1dif_ligand_3_17.mol2(FDBF04049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dif | ALA28 | -1.10 | -2.02 | -3.12 | 0.58 | -2.54 |
| 1dif | ASP29 | -1.32 | 0.55 | -0.77 | -0.19 | -0.95 |
| 1dif | ILE47 | -0.84 | 0.25 | -0.59 | -0.30 | -0.90 |
| 1dif | GLY49 | -0.53 | -0.19 | -0.72 | 0.35 | -0.37 |
| 1dif | ILE84 | -0.61 | -0.01 | -0.62 | -0.03 | -0.65 |
| 1dif | ILE50 | -0.67 | 0.21 | -0.46 | -0.23 | -0.70 |
