Binding information for 1jzs_ligand_2_63.mol2(FDBF03864)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jzs_ligand_2_63.mol2 | 1jzs | 0.818182 | -6.05 | C(=O)(OCC)/C=C\C | 8 |
Structure and binding mode of 1jzs_ligand_2_63.mol2(FDBF03864)
Important binding residues for 1jzs_ligand_2_63.mol2(FDBF03864)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1jzs | HIS54 | -1.02 | 0.25 | -0.77 | 0.28 | -0.50 |
| 1jzs | VAL55 | -0.87 | 0.11 | -0.76 | 0.38 | -0.39 |
| 1jzs | GLY56 | -0.62 | -0.23 | -0.85 | 0.39 | -0.46 |
| 1jzs | LEU583 | -1.49 | -1.71 | -3.2 | 0.98 | -2.21 |
| 1jzs | ILE584 | -1.28 | -2.20 | -3.48 | 1.17 | -2.31 |
| 1jzs | MET592 | -0.77 | -0.14 | -0.91 | 0.29 | -0.63 |
