Binding information for 1ugx_ligand_1_2.mol2(FDBF07462)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ugx_ligand_1_2.mol2 | 1ugx | 0.75 | -6.08 | C1O[C@@H](CC[C@H]1O)OC | 9 |
Structure and binding mode of 1ugx_ligand_1_2.mol2(FDBF07462)
Important binding residues for 1ugx_ligand_1_2.mol2(FDBF07462)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ugx | PHE47 | -0.67 | 0.04 | -0.63 | 0.17 | -0.46 |
| 1ugx | TYR78 | -2.53 | 0.23 | -2.3 | 0.98 | -1.31 |
| 1ugx | ILE120 | -0.18 | 0.02 | -0.16 | -0.47 | -0.63 |
| 1ugx | GLY121 | -0.85 | -1.39 | -2.24 | 0.28 | -1.96 |
| 1ugx | TYR122 | -2.13 | -1.89 | -4.02 | 1.44 | -2.59 |
