Binding information for 1lxf_ligand_4_159.mol2(FDBF02825)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lxf_ligand_4_159.mol2 | 1lxf | 1 | -6.84 | CCN(c1ccccc1)C | 10 |
Structure and binding mode of 1lxf_ligand_4_159.mol2(FDBF02825)
Important binding residues for 1lxf_ligand_4_159.mol2(FDBF02825)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lxf | ILE36 | -0.73 | -0.08 | -0.81 | -0.02 | -0.82 |
| 1lxf | VAL44 | -0.07 | -0.60 | -0.67 | 0.25 | -0.42 |
| 1lxf | MET60 | -1.16 | 0.44 | -0.72 | -0.07 | -0.79 |
| 1lxf | VAL64 | -0.46 | -0.11 | -0.57 | -0.05 | -0.62 |
