Binding information for 4umu_ligand_2_0.mol2(FDBF01159)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4umu_ligand_2_0.mol2 | 4umu | 0.75 | -7.05 | c1(ccccc1)OCC | 9 |
Structure and binding mode of 4umu_ligand_2_0.mol2(FDBF01159)
Important binding residues for 4umu_ligand_2_0.mol2(FDBF01159)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4umu | ALA60 | -0.13 | -0.10 | -0.23 | -0.09 | -0.32 |
| 4umu | LEU61 | -1.74 | -0.44 | -2.18 | -0.05 | -2.23 |
| 4umu | ILE69 | -0.66 | 0.23 | -0.43 | -0.02 | -0.44 |
| 4umu | MET84 | -0.41 | -0.22 | -0.63 | 0.32 | -0.31 |
| 4umu | LEU148 | -1.10 | -0.31 | -1.41 | 0.41 | -0.99 |
| 4umu | ILE149 | -0.97 | -0.18 | -1.15 | 0.07 | -1.09 |
