Table 8.
Binding affinity and amino acid residues.
| Ligand | Binding affinity (kcal mol) | Hydrogen Bonds | Hydrophobic Bonds |
|---|---|---|---|
| Native ligand | −9,6 | Asn332, Lys277, Gly331, His328, Ala326 | Leu386, Val250, Val258, Ala275 |
| Delphinidin 3-glucoside | −10,4 | Lys277, Thr325, Ala256 | Val258, Leu386, Val250, Leu305, Ala275, Cys396 |
| Cyanidin 3-O-galactoside | −10,3 | Asp397, Glu290, Lys277, Phe327 | Leu386, Val258, Val250, Ala275, Leu305, Cys396 |
| Cyanidin 3-glucoside | −10,2 | Lys277, Asp397, Glu290, Phe327 | Val258, Leu386, Val250, Ala275, Cys396, Leu305 |
| Pelargonidin-3-glucoside | −9,8 | Ala256, Asp397 | Val258, Leu386, Ala275, Lys277, Leu305, Cys396, Val250 |
| Peonidin 3-galactoside | −9,1 | Asp397, Ser383, Thr325, Leu323 | Leu386, Val250, Leu305, Lys277, Ala275, Cys396, Ala256, Val258, Asn332 |
| Peonidin-3-glucoside | −9,1 | Thr325, Ser383, Leu323, Gly253, Phe327 | Leu386, Ala275, Cys396, Leu305, Lys277, Val250 |
| Pirfenidone | −7,9 | — | Leu 386, Val258, Ala275, Phe327, Leu305 |