Binding information for 1hv5_ligand_4_14.mol2(FDBF02364)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hv5_ligand_4_14.mol2 | 1hv5 | 1 | -6.21 | N(C(=O)C)CC[C@@H]1[C@@H]2[C@@H]([NH2+]C1)CCCC2 | 15 |
Structure and binding mode of 1hv5_ligand_4_14.mol2(FDBF02364)
Important binding residues for 1hv5_ligand_4_14.mol2(FDBF02364)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hv5 | GLY179 | -1.62 | 0.24 | -1.38 | 0.21 | -1.17 |
| 1hv5 | ILE180 | -1.36 | -1.82 | -3.18 | -0.05 | -3.23 |
| 1hv5 | LEU181 | -0.86 | -2.66 | -3.52 | 1.12 | -2.40 |
| 1hv5 | ALA182 | -0.43 | -0.02 | -0.45 | 0.13 | -0.32 |
| 1hv5 | PRO239 | -0.76 | -2.31 | -3.07 | 2.35 | -0.72 |
| 1hv5 | PHE240 | -1.22 | 0.11 | -1.11 | 0.31 | -0.80 |
