Binding information for 1hv5_ligand_3_396.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hv5_ligand_3_396.mol2 | 1hv5 | 1 | -6.03 | NC(=O)C(C)C | 6 |
Structure and binding mode of 1hv5_ligand_3_396.mol2(FDBF00026)
Important binding residues for 1hv5_ligand_3_396.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hv5 | ILE180 | -0.30 | -2.05 | -2.35 | 0.30 | -2.05 |
| 1hv5 | LEU181 | -0.98 | -2.61 | -3.59 | 1.07 | -2.52 |
| 1hv5 | PRO239 | -0.49 | -2.28 | -2.77 | 2.04 | -0.73 |
