3sjo

X-ray diffraction
1.7Å resolution

structure of EV71 3C in complex with Rupintrivir (AG7088)

Released:

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-122716 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C protease Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 190 amino acids
Theoretical weight: 21.15 KDa
Source organism: Enterovirus A71
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: E0WWC7 (Residues: 1548-1731; 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: PHOTON FACTORY BEAMLINE AR-NE3A
Spacegroup: P1
Unit cell:
a: 41.258Å b: 82.171Å c: 97.952Å
α: 89.96° β: 89.99° γ: 90.13°
R-values:
R R work R free
0.208 0.205 0.222
Expression system: Escherichia coli BL21(DE3)