Binding information for 1lfo_ligand.mol2(FDBF03871)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lfo_ligand.mol2 | 1lfo | 0.622222 | -8.08 | C(=O)(O)CCCCCCC/C=C\CCCCCCCC | 21 |
Structure and binding mode of 1lfo_ligand.mol2(FDBF03871)
Important binding residues for 1lfo_ligand.mol2(FDBF03871)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lfo | LEU24 | -0.65 | -11.43 | -12.08 | 11.59 | -0.50 |
| 1lfo | LEU28 | -1.32 | 0.86 | -0.46 | -0.56 | -1.02 |
| 1lfo | LYS31 | -0.26 | -49.61 | -49.87 | 45.66 | -4.22 |
| 1lfo | GLY32 | -0.61 | -0.27 | -0.88 | 0.42 | -0.45 |
| 1lfo | ILE52 | -1.02 | -12.13 | -13.15 | 12.19 | -0.96 |
| 1lfo | TYR54 | -3.16 | 2.69 | -0.47 | -0.92 | -1.38 |
| 1lfo | GLY55 | -0.37 | -5.06 | -5.43 | 3.95 | -1.48 |
| 1lfo | SER56 | -0.09 | -11.03 | -11.12 | 9.72 | -1.40 |
| 1lfo | LYS57 | -1.48 | -18.98 | -20.46 | 19.53 | -0.93 |
| 1lfo | MET74 | -1.19 | 0.34 | -0.85 | -0.40 | -1.24 |
| 1lfo | MET113 | -0.74 | 7.18 | 6.44 | -6.85 | -0.40 |
| 1lfo | ARG122 | -1.66 | -3.52 | -5.18 | 3.94 | -1.24 |
