Binding information for 1lfo_ligand_4_671.mol2(FDBF00085)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lfo_ligand_4_671.mol2 | 1lfo | 1 | -6.42 | CCCCC=C | 6 |
Structure and binding mode of 1lfo_ligand_4_671.mol2(FDBF00085)
Important binding residues for 1lfo_ligand_4_671.mol2(FDBF00085)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lfo | LEU24 | -0.54 | -0.19 | -0.73 | 0.40 | -0.33 |
| 1lfo | LEU28 | -0.95 | -0.08 | -1.03 | 0.35 | -0.68 |
| 1lfo | GLY32 | -0.58 | 0.09 | -0.49 | 0.10 | -0.39 |
| 1lfo | TYR54 | -1.25 | 0.12 | -1.13 | 0.33 | -0.79 |
| 1lfo | MET74 | -0.54 | -0.01 | -0.55 | -0.02 | -0.58 |
