Binding information for 4fnz_ligand_1_10.mol2(FDBF00464)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fnz_ligand_1_10.mol2 | 4fnz | 0.625 | -5.48 | OC(F)(F)F | 5 |
Structure and binding mode of 4fnz_ligand_1_10.mol2(FDBF00464)
Important binding residues for 4fnz_ligand_1_10.mol2(FDBF00464)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fnz | ILE1171 | -0.27 | 0.10 | -0.17 | -0.16 | -0.34 |
| 4fnz | PHE1174 | -0.53 | -0.19 | -0.72 | 0.24 | -0.47 |
| 4fnz | ILE1179 | -0.20 | 0.10 | -0.1 | -0.22 | -0.32 |
| 4fnz | HIS1247 | -0.46 | -0.41 | -0.87 | 0.38 | -0.50 |
| 4fnz | ILE1268 | -0.57 | -0.24 | -0.81 | 0.44 | -0.36 |
| 4fnz | PHE1271 | -1.13 | 0.17 | -0.96 | 0.50 | -0.46 |
