3q3y

X-ray diffraction
1.32Å resolution

Complex structure of HEVB EV93 main protease 3C with Compound 1 (AG7404)

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-176978 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
HEVB EV93 3C protease Chains: A, B
Molecule details ›
Chains: A, B
Length: 191 amino acids
Theoretical weight: 21.4 KDa
Source organism: Enterovirus B
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5DSM6 (Residues: 1556-1738; Coverage: 8%)
Sequence domains: 3C cysteine protease (picornain 3C)
Structure domains: Trypsin-like serine proteases

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P21
Unit cell:
a: 39.04Å b: 64.45Å c: 68.74Å
α: 90° β: 90.81° γ: 90°
R-values:
R R work R free
0.128 0.125 0.17
Expression system: Escherichia coli