Table 6 The ligand-receptor, binding affinity, hydrogen bond, bond distance, and other interaction of some selected ligands
Ligand-receptor (3IKA) | Binding affinity (Kcal/mol) | Hydrogen bond | Bond distance (Å) | Halogen, hydrophobic, and other amino acid residues |
|---|---|---|---|---|
Complex 4 | − 8.4 | Thr854 and Asp855 | 2.31432 and 2.5532 | Lys745, Cys797, Ala743, Leu844, Leu718, Val726, Ala743, and Lys745 |
Complex 12 | − 8.7 | Unk1, Arg841, Asp855, Glu762, and Glu762 | 2.4959, 3.7987, 3.2586, 3.7260, and 3.7228 | Leu718, Leu718, Lys745, Val726, Leu844, Lys728, and Leu792 |
Complex 16 | − 8.6 | Met793, Lys728, Glu762, and Asp855 | 2.8649, 2.2705, 3.5998, and 3.6036 | Leu718, Leu718, Lys745, Val726, Leu844, Lys728, and Leu792 |
Complex 27 | − 8.5 | Glu762 | 3.68933 | Leu718, Leu718, Lys745, Val726, Leu844, Lys728, and Leu792 |
Complex 29 | − 8.8 | LYS745, PHE795, GLY796, ALA743, LEU844, LEU718, VAL726, ALA743, and LYS745 |