5dp3

X-ray diffraction
2.05Å resolution

Crystal Structure of EV71 3C Proteinase in complex with compound 2

Released:
Source organism: Enterovirus A71
Primary publication:
Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71.
Biochim Biophys Acta 1860 1299-307 (2016)
PMID: 26987809

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
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-109084 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C proteinase Chain: A
Molecule details ›
Chain: A
Length: 192 amino acids
Theoretical weight: 21.39 KDa
Source organism: Enterovirus A71
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A9XG43 (Residues: 1549-1731; Coverage: 8%)
Sequence domains: 3C cysteine protease (picornain 3C)
Structure domains: Trypsin-like serine proteases

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: C2221
Unit cell:
a: 64.623Å b: 64.845Å c: 75.366Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.227 0.224 0.294
Expression system: Escherichia coli BL21(DE3)