Table 7.
List of target proteins, PDB IDs, active site coordinates, native ligands, and references.
| No | Protein Targets | PDB ID | Resolution Å |
Active site coordinates: | Reference Ligands | Co-crystalized ligand | Binding site residues | RMSD Value |
Reference | ||
|---|---|---|---|---|---|---|---|---|---|---|---|
| X | Y | Z | |||||||||
| 1 | Coxsackievirus adenovirus (CAR) | 2J12 | 1.50 Å | 24.50 | 9.21 | 3.54 | Pleconaril | - |
Ser60 Glu56 |
0.54 | 52 |
| 2 | 3C-protease of coxsackievirus | 8Y2U | 2.01 Å | 25.43 | 5.22 | 10.0 | Pleconaril | - |
His40 Glu71 Cys147 |
0.45 | 53 |
| 3 | 3Dpol RNA dependent RNA polymerase (RdRp) | 3DDK | 2.25 Å | 6.50 | 38.55 | −14.50 | Pleconaril | G74 |
Thr143 Arg144 Ala145 |
1.54 | 54 |