Binding information for 4fnz_ligand_2_52.mol2(FDBF02914)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fnz_ligand_2_52.mol2 | 4fnz | 1 | -6.97 | Oc1cc(C)ccc1 | 8 |
Structure and binding mode of 4fnz_ligand_2_52.mol2(FDBF02914)
Important binding residues for 4fnz_ligand_2_52.mol2(FDBF02914)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fnz | ILE1171 | -1.66 | -0.15 | -1.81 | -0.07 | -1.89 |
| 4fnz | ILE1179 | -0.48 | -0.14 | -0.62 | 0.05 | -0.57 |
| 4fnz | LEU1196 | -0.67 | 0.09 | -0.58 | -0.06 | -0.64 |
| 4fnz | ILE1268 | -0.45 | 0.04 | -0.41 | -0.17 | -0.57 |
| 4fnz | GLY1269 | -1.10 | -0.40 | -1.5 | 0.85 | -0.66 |
| 4fnz | ASP1270 | -1.20 | -0.10 | -1.3 | 0.97 | -0.33 |
| 4fnz | PHE1271 | -1.67 | -1.12 | -2.79 | 1.21 | -1.59 |
