› 7h3j

X-ray diffraction
1.11Å 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 Z68639747 (A71EV2A-x0412)

Released:
DOI: 10.2210/pdb7h3j/pdb
PDB entry 7h3j coloured by chain, front view.
PDB entry 7h3j coloured by chain, side view.
PDB entry 7h3j 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

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-241973 (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

Ligands and Environments

4 bound ligands:
Ligand TEK 1 x TEK
Ligand ZN 1 x ZN
Ligand DMS 4 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: 86.238Å b: 56.445Å c: 32.418Å
α: 90° β: 95.07° γ: 90°
R-values:
R R work R free
0.183 0.182 0.202
Expression system: Escherichia coli

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