Binding information for 1jik_ligand_2_22.mol2(FDBF00139)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1jik_ligand_2_22.mol2 | 1jik | 1 | -5.13 | COC(=O)CNC=O | 8 |
Structure and binding mode of 1jik_ligand_2_22.mol2(FDBF00139)
Important binding residues for 1jik_ligand_2_22.mol2(FDBF00139)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1jik | ALA39 | -0.99 | -0.52 | -1.51 | 0.27 | -1.23 |
| 1jik | GLN196 | -0.85 | -1.19 | -2.04 | 1.06 | -0.98 |
