Table 4.
List of binding interactions between four selected phytochemicals with thymidylate synthase.
| ID | Residues | Distance (Å) | Bond Category | Bond Type |
|---|---|---|---|---|
| CID:102004710 | PHE80 | 2.86 | Hydrogen Bond | Conventional Hydrogen Bond |
| ILE307 | 3.39 | Hydrogen Bond | Carbon Hydrogen Bond | |
| ILE108 | 3.69 | Hydrophobic | Pi-Sigma | |
| ILE108 | 3.65 | Hydrophobic | Pi-Sigma | |
| LEU221 | 3.84 | Hydrophobic | Pi-Sigma | |
| PHE225 | 4.98 | Hydrophobic | Pi-Pi T-shaped | |
| PHE225 | 5.29 | Hydrophobic | Pi-Pi T-shaped | |
| CID:198912 | LEU221 | 2.77 | Hydrogen Bond | Conventional Hydrogen Bond |
| LYS77 | 4.17 | Hydrogen Bond | Pi-Cation | |
| PHE80 | 4.04 | Hydrogen Bond | Pi-Donor Hydrogen Bond | |
| ILE108 | 4.38 | Hydrophobic | Alkyl | |
| PHE225 | 4.20 | Hydrophobic | Pi-Alkyl | |
| LEU221 | 5.15 | Hydrophobic | Pi-Alkyl | |
| VAL79 | 4.91 | Hydrophobic | Pi-Alkyl | |
| ILE108 | 5.00 | Hydrophobic | Pi-Alkyl | |
| LEU221 | 5.23 | Hydrophobic | Pi-Alkyl | |
| CID:11969465 | ILE108 | 2.35 | Hydrogen Bond | Conventional Hydrogen Bond |
| PHE225 | 3.56 | Hydrophobic | Pi-Sigma | |
| PHE80 | 5.48 | Hydrophobic | Pi-Pi Stacked | |
| VAL79, PHE80 | 5.71 | Hydrophobic | Amide-Pi Stacked | |
| ILE108 | 5.28 | Hydrophobic | Alkyl | |
| PHE225 | 4.94 | Hydrophobic | Pi-Alkyl | |
| CID:5281349 | ASN226 | 4.09 | Hydrogen Bond | Pi-Donor Hydrogen Bond |
| CYS195 | 4.93 | Other | Pi-Sulfur | |
| TRP109 | 5.32 | Hydrophobic | Pi-Pi T-shaped | |
| TRP109 | 4.76 | Hydrophobic | Pi-Pi T-shaped | |
| ILE108 | 4.73 | Hydrophobic | Alkyl | |
| LEU221 | 5.18 | Hydrophobic | Alkyl |