Binding information for 1hvj_ligand_3_18.mol2(FDBF04049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hvj_ligand_3_18.mol2 | 1hvj | 1 | -6.17 | C(NC(=O)N(C)C)C(C)C | 10 |
Structure and binding mode of 1hvj_ligand_3_18.mol2(FDBF04049)
Important binding residues for 1hvj_ligand_3_18.mol2(FDBF04049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hvj | ALA28 | -1.11 | -1.96 | -3.07 | 0.55 | -2.52 |
| 1hvj | ASP29 | -1.35 | 0.85 | -0.5 | -0.15 | -0.65 |
| 1hvj | ILE47 | -0.68 | 0.27 | -0.41 | -0.32 | -0.74 |
| 1hvj | GLY49 | -0.53 | -0.17 | -0.7 | 0.31 | -0.39 |
| 1hvj | ILE84 | -0.51 | 0.00 | -0.51 | -0.05 | -0.56 |
| 1hvj | ARG8 | -0.59 | 0.33 | -0.26 | -0.19 | -0.45 |
| 1hvj | ILE50 | -0.64 | 0.20 | -0.44 | -0.26 | -0.70 |
