Binding information for 1hfs_ligand_3_316.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hfs_ligand_3_316.mol2 | 1hfs | 1 | -6.01 | C(C)(C(=O)N)C | 6 |
Structure and binding mode of 1hfs_ligand_3_316.mol2(FDBF00026)
Important binding residues for 1hfs_ligand_3_316.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hfs | VAL163 | -0.70 | -1.85 | -2.55 | 0.70 | -1.84 |
| 1hfs | LEU164 | -1.09 | -3.04 | -4.13 | 1.33 | -2.80 |
| 1hfs | ALA165 | -0.69 | 0.09 | -0.6 | 0.26 | -0.35 |
| 1hfs | HIS201 | -0.50 | -0.13 | -0.63 | -0.05 | -0.68 |
| 1hfs | PRO221 | -0.63 | -1.92 | -2.55 | 1.94 | -0.61 |
| 1hfs | TYR223 | -0.71 | 0.05 | -0.66 | 0.07 | -0.59 |
