Binding information for 3f18_ligand_2_4.mol2(FDBF01627)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f18_ligand_2_4.mol2 | 3f18 | 1 | -5.41 | O[S](O)N(C)C | 6 |
Structure and binding mode of 3f18_ligand_2_4.mol2(FDBF01627)
Important binding residues for 3f18_ligand_2_4.mol2(FDBF01627)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f18 | ASP175 | -0.04 | -30.78 | -30.82 | 30.44 | -0.38 |
| 3f18 | ILE180 | -1.35 | 1.79 | 0.44 | -2.55 | -2.11 |
| 3f18 | ALA182 | -0.84 | -4.52 | -5.36 | 4.83 | -0.53 |
| 3f18 | ASP198 | -0.03 | -29.17 | -29.2 | 28.84 | -0.35 |
| 3f18 | GLU201 | -0.03 | -29.05 | -29.08 | 28.66 | -0.42 |
