Binding information for 1lf3_ligand_4_105.mol2(FDBF03583)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lf3_ligand_4_105.mol2 | 1lf3 | 0.844444 | -6.40 | N(C(=O)c1ccc(O)cc1)CC | 12 |
Structure and binding mode of 1lf3_ligand_4_105.mol2(FDBF03583)
Important binding residues for 1lf3_ligand_4_105.mol2(FDBF03583)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lf3 | TYR77 | -0.79 | -0.54 | -1.33 | 0.69 | -0.64 |
| 1lf3 | VAL78 | -0.79 | -1.32 | -2.11 | 0.96 | -1.15 |
| 1lf3 | GLY216 | -1.00 | -1.55 | -2.55 | 2.16 | -0.39 |
| 1lf3 | THR217 | -1.77 | 0.05 | -1.72 | -0.08 | -1.79 |
| 1lf3 | SER218 | -0.97 | -0.89 | -1.86 | 1.23 | -0.62 |
