Binding information for 1hvi_ligand_3_18.mol2(FDBF04049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hvi_ligand_3_18.mol2 | 1hvi | 1 | -6.16 | C(C)(C)CNC(=O)N(C)C | 10 |
Structure and binding mode of 1hvi_ligand_3_18.mol2(FDBF04049)
Important binding residues for 1hvi_ligand_3_18.mol2(FDBF04049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hvi | ALA28 | -1.14 | -1.94 | -3.08 | 0.64 | -2.44 |
| 1hvi | ASP29 | -1.38 | 1.04 | -0.34 | -0.78 | -1.13 |
| 1hvi | ILE47 | -0.74 | 0.28 | -0.46 | -0.33 | -0.79 |
| 1hvi | GLY49 | -0.56 | -0.16 | -0.72 | 0.30 | -0.42 |
| 1hvi | ILE84 | -0.49 | 0.00 | -0.49 | -0.05 | -0.54 |
| 1hvi | ARG8 | -0.56 | 0.14 | -0.42 | -0.01 | -0.42 |
| 1hvi | ILE50 | -0.77 | 0.18 | -0.59 | -0.23 | -0.82 |
