› 7h3g

X-ray diffraction
1.37Å 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 Z57260516 (A71EV2A-x0387)

Released:
DOI: 10.2210/pdb7h3g/pdb
PDB entry 7h3g coloured by chain, front view.
PDB entry 7h3g coloured by chain, side view.
PDB entry 7h3g 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 Chains: A, B
Molecule details ›
Chains: A, B
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

3 bound ligands:
Ligand ZN 2 x ZN
Ligand DMS 2 x DMS
Ligand B0V 1 x B0V
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C2
Unit cell:
a: 86.49Å b: 56.44Å c: 64.6Å
α: 90° β: 94.45° γ: 90°
R-values:
R R work R free
0.186 0.184 0.218
Expression system: Escherichia coli

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