Binding information for 1hbv_ligand_1_11.mol2(FDBF00104)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hbv_ligand_1_11.mol2 | 1hbv | 1 | -5.97 | C(C)(C)CC(=O)OC | 8 |
Structure and binding mode of 1hbv_ligand_1_11.mol2(FDBF00104)
Important binding residues for 1hbv_ligand_1_11.mol2(FDBF00104)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hbv | ALA28 | -0.72 | -1.76 | -2.48 | 0.68 | -1.80 |
| 1hbv | ASP30 | -0.92 | 2.71 | 1.79 | -2.12 | -0.33 |
| 1hbv | ILE47 | -0.36 | 0.02 | -0.34 | -0.12 | -0.46 |
| 1hbv | ILE84 | -0.48 | 0.05 | -0.43 | -0.10 | -0.53 |
