Binding information for 1lxf_ligand_4_8.mol2(FDBF02832)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lxf_ligand_4_8.mol2 | 1lxf | 1 | -5.15 | C(COC)[NH+]1CCCC1 | 9 |
Structure and binding mode of 1lxf_ligand_4_8.mol2(FDBF02832)
Important binding residues for 1lxf_ligand_4_8.mol2(FDBF02832)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lxf | MET60 | -0.58 | -2.24 | -2.82 | 2.27 | -0.55 |
| 1lxf | MET80 | -1.43 | -1.14 | -2.57 | 1.64 | -0.92 |
| 1lxf | MET81 | -0.40 | 0.57 | 0.17 | -0.52 | -0.35 |
