Binding information for 1jzs_ligand_1_6.mol2(FDBF03864)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jzs_ligand_1_6.mol2 | 1jzs | 1 | -5.77 | C(=O)(OC)/C=C\C | 7 |
Structure and binding mode of 1jzs_ligand_1_6.mol2(FDBF03864)
Important binding residues for 1jzs_ligand_1_6.mol2(FDBF03864)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1jzs | HIS54 | -0.72 | 0.24 | -0.48 | 0.17 | -0.31 |
| 1jzs | GLY56 | -0.59 | -0.22 | -0.81 | 0.39 | -0.42 |
| 1jzs | LEU583 | -1.47 | -1.66 | -3.13 | 0.96 | -2.17 |
| 1jzs | ILE584 | -1.20 | -2.22 | -3.42 | 1.19 | -2.24 |
| 1jzs | MET592 | -0.43 | -0.10 | -0.53 | 0.18 | -0.36 |
