Binding information for 1zsf_ligand_2_0.mol2(FDBF05618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zsf_ligand_2_0.mol2 | 1zsf | 0.695652 | -6.53 | CNC(=O)OC(C)(C)C | 9 |
Structure and binding mode of 1zsf_ligand_2_0.mol2(FDBF05618)
Important binding residues for 1zsf_ligand_2_0.mol2(FDBF05618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zsf | ILE50 | -0.89 | -0.66 | -1.55 | 0.60 | -0.94 |
| 1zsf | GLY127 | -0.31 | -1.60 | -1.91 | 1.45 | -0.46 |
| 1zsf | ALA128 | -1.08 | -0.31 | -1.39 | 0.37 | -1.02 |
| 1zsf | VAL132 | -0.63 | -0.49 | -1.12 | 0.71 | -0.42 |
| 1zsf | ILE147 | -0.78 | 0.10 | -0.68 | -0.02 | -0.70 |
| 1zsf | GLY149 | -0.62 | -1.12 | -1.74 | 0.84 | -0.90 |
| 1zsf | ILE184 | -0.62 | -0.01 | -0.63 | 0.02 | -0.62 |
