Table 5. Hydrogen bonding between hesperetin and 3TRK.
This table documents the residues involved in the hydrogen bond formation as well as the angle DHA and length of the hydrogen bonds as analysed using the Discovery Studio 2.5. The binding affinities as ranked by the AutoDock Vina 1.5.6 are recorded in the final column of the table.
| Hydrogen bonds | Angle DHA (°) | Distance (Å) | Binding affinity (kcal/mol) |
|---|---|---|---|
| Hesperetin:UNK1:H3–3TRK:ASP1246:OD1 | 132.214 | 2.19274 | −6.9 |
| 3TRK:TRP1084:HE1–Hesperetin:UNK1:O18 | 140.389 | 2.20564 | |
| 3TRK:TRP1084:HE1–Hesperetin:UNK1:O19 | 148.713 | 2.13609 | |
| Hesperetin:UNK1:H3–3TRK:Ser1048:OG | 144.592 | 2.32087 | −6.8 |
| Hesperetin:UNK1:H1–3TRK:GLN1241:O | 93.425 | 2.48789 | −6.6 |
| 3TRK:ALA1180:HN–Hesperetin:UNK1:O20 | 136.259 | 2.09817 | −6.5 |
| 3TRK:LYS1091:HZ2–Hesperetin:UNK1:O18 | 134.881 | 2.44139 | −6.4 |
| 3TRK:ARG1267:HH12–Hesperetin:UNK1:O19 | 141.467 | 2.27262 | |
| 3TRK:ARG1267:HH22–Hesperetin:UNK1:O19 | 149.413 | 2.06422 | |
| Hesperetin:UNK1:H1–3TRK:LEU1065:O | 144.638 | 2.23416 | |
| 3TRK:PHE1225:HN–Hesperetin:UNK1:O10 | 145.498 | 2.33505 | −6.1 |
| 3TRK:ASN1135:HN–Hesperetin:UNK1:O18 | 126.233 | 2.487381 | |
| 3TRK:ASN1135:HN–Hesperetin:UNK1:O19 | 129.610 | 2.38619 |