› 7h3e

X-ray diffraction
1.39Å resolution

Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z56921372 (A71EV2A-x0375)

Released:
DOI: 10.2210/pdb7h3e/pdb
PDB entry 7h3e coloured by chain, front view.
PDB entry 7h3e coloured by chain, side view.
PDB entry 7h3e coloured by chain, top view.
Source organism: Coxsackievirus A16
Primary publication:
Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Lithgo RM, Tomlinson CWE, Fairhead M, Winokan M, Thompson W, Wild C, Aschenbrenner JC, Balcomb BH, Marples PG, Chandran AV, Golding M, Koekemoer L, Williams EP, Wang S, Ni X, MacLean E, Giroud C, Godoy AS, Xavier MA, Walsh M, Fearon D, von Delft F
bioRxiv (2024)
PMID: 38746446

Function and Biology Details

Reactions catalysed: 
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
Selective cleavage of Gln-|-Gly bond in the poliovirus polyprotein. In other picornavirus reactions Glu may be substituted for Gln, and Ser or Thr for Gly.
Selective cleavage of Tyr-|-Gly bond in picornavirus polyprotein.
NTP + H(2)O = NDP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-280224 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protease 2A Chain: A
Molecule details ›
Chain: A
Length: 150 amino acids
Theoretical weight: 16.49 KDa
Source organism: Coxsackievirus A16
Expression system: Escherichia coli
UniProt:
  • Canonical: Q65900 (Residues: 869-1012; Coverage: 7%)
Sequence domains: Picornavirus core protein 2A

Ligands and Environments

4 bound ligands:
Ligand A1AM4 3 x A1AM4
Ligand ZN 1 x ZN
Ligand DMS 3 x DMS
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C2
Unit cell:
a: 85.92Å b: 56.73Å c: 32.42Å
α: 90° β: 94.69° γ: 90°
R-values:
R R work R free
0.203 0.201 0.246
Expression system: Escherichia coli

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