Binding information for 4uyg_ligand_1_1.mol2(FDBF07625)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4uyg_ligand_1_1.mol2 | 4uyg | 0.512821 | -6.07 | Nc1ccc(Cl)cc1 | 8 |
Structure and binding mode of 4uyg_ligand_1_1.mol2(FDBF07625)
Important binding residues for 4uyg_ligand_1_1.mol2(FDBF07625)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4uyg | TRP370 | -1.15 | -0.44 | -1.59 | 0.59 | -1.00 |
| 4uyg | PRO371 | -0.50 | -0.02 | -0.52 | 0.12 | -0.40 |
| 4uyg | HIS433 | -0.79 | -0.97 | -1.76 | 1.14 | -0.62 |
| 4uyg | ASP434 | -0.83 | 1.60 | 0.77 | -1.37 | -0.60 |
| 4uyg | VAL435 | -0.98 | -0.10 | -1.08 | -0.04 | -1.12 |
| 4uyg | MET438 | -0.50 | -0.04 | -0.54 | 0.06 | -0.48 |
