Binding information for 1f4g_ligand_frag_0.mol2(FDBF02042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1f4g_ligand_frag_0.mol2 | 1f4g | 1 | -6.03 | C1CCN(C1)[S](O)O | 8 |
Structure and binding mode of 1f4g_ligand_frag_0.mol2(FDBF02042)
Important binding residues for 1f4g_ligand_frag_0.mol2(FDBF02042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1f4g | ILE79 | -1.05 | -0.93 | -1.98 | 1.37 | -0.61 |
| 1f4g | TRP80 | -1.75 | -0.86 | -2.61 | 1.37 | -1.24 |
| 1f4g | GLY173 | -0.69 | 0.28 | -0.41 | -0.35 | -0.76 |
| 1f4g | PHE176 | -0.40 | 0.95 | 0.55 | -1.04 | -0.49 |
| 1f4g | ASN177 | -0.36 | 1.18 | 0.82 | -1.66 | -0.84 |
