Binding information for 1ikt_ligand_4_645.mol2(FDBF07655)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ikt_ligand_4_645.mol2 | 1ikt | 0.545455 | -5.98 | CCOCC | 5 |
Structure and binding mode of 1ikt_ligand_4_645.mol2(FDBF07655)
Important binding residues for 1ikt_ligand_4_645.mol2(FDBF07655)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ikt | PRO89 | -0.62 | 0.07 | -0.55 | 0.01 | -0.54 |
| 1ikt | GLN90 | -1.33 | -0.76 | -2.09 | 0.98 | -1.11 |
| 1ikt | PHE93 | -0.79 | -0.26 | -1.05 | 0.32 | -0.73 |
| 1ikt | LEU98 | -0.65 | -0.52 | -1.17 | 0.65 | -0.51 |
| 1ikt | GLN108 | -1.04 | -0.22 | -1.26 | 0.45 | -0.82 |
