Binding information for 4uwg_ligand_2_9.mol2(FDBF00684)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4uwg_ligand_2_9.mol2 | 4uwg | 1 | -5.53 | C(C)(C)OC | 5 |
Structure and binding mode of 4uwg_ligand_2_9.mol2(FDBF00684)
Important binding residues for 4uwg_ligand_2_9.mol2(FDBF00684)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4uwg | PHE684 | -0.46 | 0.15 | -0.31 | -0.00 | -0.32 |
| 4uwg | PRO689 | -0.39 | -0.19 | -0.58 | 0.24 | -0.34 |
| 4uwg | LEU750 | -0.49 | -0.03 | -0.52 | -0.01 | -0.53 |
| 4uwg | ILE760 | -0.29 | -0.00 | -0.29 | -0.07 | -0.37 |
