Binding information for 1lfo_ligand_1_6.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lfo_ligand_1_6.mol2 | 1lfo | 1 | -5.80 | CC=C | 3 |
Structure and binding mode of 1lfo_ligand_1_6.mol2(FDBF00022)
Important binding residues for 1lfo_ligand_1_6.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lfo | LEU28 | -0.39 | -0.06 | -0.45 | 0.08 | -0.36 |
| 1lfo | TYR54 | -0.67 | 0.12 | -0.55 | 0.12 | -0.43 |
| 1lfo | MET74 | -0.48 | -0.02 | -0.5 | -0.01 | -0.51 |
