Binding information for 1ikt_ligand_4_680.mol2(FDBF00805)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ikt_ligand_4_680.mol2 | 1ikt | 1 | -5.37 | C(O)COC | 5 |
Structure and binding mode of 1ikt_ligand_4_680.mol2(FDBF00805)
Important binding residues for 1ikt_ligand_4_680.mol2(FDBF00805)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ikt | PRO89 | -0.63 | -0.26 | -0.89 | 0.12 | -0.77 |
| 1ikt | GLN90 | -1.39 | -2.61 | -4 | 1.44 | -2.57 |
| 1ikt | PHE93 | -1.05 | -0.53 | -1.58 | 0.59 | -0.99 |
| 1ikt | LEU98 | -0.53 | -0.28 | -0.81 | 0.44 | -0.37 |
| 1ikt | ILE104 | -0.71 | -0.24 | -0.95 | 0.64 | -0.31 |
| 1ikt | GLN108 | -1.10 | -0.33 | -1.43 | 0.73 | -0.71 |
