Binding information for 1lf3_ligand_5_540.mol2(FDBF03586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lf3_ligand_5_540.mol2 | 1lf3 | 0.85 | -6.44 | N(C(=O)c1cc(OC)c(O)cc1)CC | 14 |
Structure and binding mode of 1lf3_ligand_5_540.mol2(FDBF03586)
Important binding residues for 1lf3_ligand_5_540.mol2(FDBF03586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lf3 | MET15 | -0.42 | 0.13 | -0.29 | -0.09 | -0.37 |
| 1lf3 | TYR77 | -0.79 | -0.51 | -1.3 | 0.68 | -0.63 |
| 1lf3 | VAL78 | -0.79 | -1.26 | -2.05 | 0.92 | -1.13 |
| 1lf3 | GLY216 | -1.28 | -1.49 | -2.77 | 2.25 | -0.52 |
| 1lf3 | THR217 | -2.09 | -0.27 | -2.36 | 0.37 | -1.99 |
| 1lf3 | SER218 | -1.35 | -0.62 | -1.97 | 1.66 | -0.31 |
