Binding information for 1lf3_ligand_4_107.mol2(FDBF01193)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lf3_ligand_4_107.mol2 | 1lf3 | 0.611765 | -6.29 | N(C(=O)c1cccc(OC)c1)CC | 13 |
Structure and binding mode of 1lf3_ligand_4_107.mol2(FDBF01193)
Important binding residues for 1lf3_ligand_4_107.mol2(FDBF01193)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lf3 | TYR77 | -0.80 | -0.55 | -1.35 | 0.71 | -0.63 |
| 1lf3 | VAL78 | -0.93 | -1.29 | -2.22 | 0.92 | -1.30 |
| 1lf3 | GLY216 | -1.02 | -1.33 | -2.35 | 1.98 | -0.36 |
| 1lf3 | THR217 | -1.80 | 0.04 | -1.76 | 0.27 | -1.50 |
| 1lf3 | ILE290 | -0.46 | 0.41 | -0.05 | -0.27 | -0.32 |
