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. 2024 Nov 26;14:29378. doi: 10.1038/s41598-024-80753-z

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