Binding information for 4yas_ligand_frag_0.mol2(FDBF06936)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4yas_ligand_frag_0.mol2 | 4yas | 0.3 | -5.97 | C(Cl)(Cl)Cl | 4 |
Structure and binding mode of 4yas_ligand_frag_0.mol2(FDBF06936)
Important binding residues for 4yas_ligand_frag_0.mol2(FDBF06936)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4yas | THR11 | -0.67 | -0.38 | -1.05 | 0.22 | -0.83 |
| 4yas | ILE12 | -0.73 | 0.04 | -0.69 | 0.13 | -0.55 |
| 4yas | LEU121 | -0.33 | -0.19 | -0.52 | 0.20 | -0.32 |
| 4yas | TRP128 | -0.79 | 0.33 | -0.46 | -0.10 | -0.56 |
| 4yas | LEU148 | -0.36 | 0.22 | -0.14 | -0.20 | -0.33 |
| 4yas | LEU157 | -0.51 | -0.03 | -0.54 | 0.00 | -0.53 |
| 4yas | ILE209 | -0.38 | 0.27 | -0.11 | -0.28 | -0.38 |
| 4yas | PHE210 | -0.62 | -0.35 | -0.97 | 0.49 | -0.48 |
