Binding information for 1jzs_ligand_2_5.mol2(FDBF03864)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jzs_ligand_2_5.mol2 | 1jzs | 0.947368 | -5.94 | C(=O)(OC)C=C(C)C | 8 |
Structure and binding mode of 1jzs_ligand_2_5.mol2(FDBF03864)
Important binding residues for 1jzs_ligand_2_5.mol2(FDBF03864)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1jzs | HIS54 | -0.79 | 0.19 | -0.6 | 0.28 | -0.32 |
| 1jzs | GLY56 | -0.66 | -0.27 | -0.93 | 0.47 | -0.46 |
| 1jzs | LEU583 | -1.55 | -1.73 | -3.28 | 0.99 | -2.29 |
| 1jzs | ILE584 | -1.21 | -2.25 | -3.46 | 1.18 | -2.28 |
| 1jzs | MET592 | -0.44 | -0.10 | -0.54 | 0.18 | -0.36 |
