Binding information for 1ikt_ligand_3_282.mol2(FDBF00826)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ikt_ligand_3_282.mol2 | 1ikt | 0.666667 | -5.46 | COCC | 4 |
Structure and binding mode of 1ikt_ligand_3_282.mol2(FDBF00826)
Important binding residues for 1ikt_ligand_3_282.mol2(FDBF00826)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ikt | GLN90 | -1.28 | -1.70 | -2.98 | 1.21 | -1.77 |
| 1ikt | PHE93 | -1.12 | -0.04 | -1.16 | 0.19 | -0.97 |
| 1ikt | PHE94 | -0.65 | -0.48 | -1.13 | 0.68 | -0.45 |
| 1ikt | ILE104 | -0.61 | 0.29 | -0.32 | -0.20 | -0.52 |
