3zz8

X-ray diffraction
1.85Å resolution

Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 82

Released:
Source organism: Coxsackievirus B3
Entry authors: Tan J, Anand K, Mesters JR, Hilgenfeld R

Function and Biology Details

Reactions catalysed:
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
NTP + H(2)O = NDP + phosphate
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.
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C PROTEINASE Chain: A
Molecule details ›
Chain: A
Length: 184 amino acids
Theoretical weight: 20.43 KDa
Source organism: Coxsackievirus B3
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5UEA2 (Residues: 1541-1723; 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: BESSY BEAMLINE 14.1
Spacegroup: C2
Unit cell:
a: 77.44Å b: 63.73Å c: 39.38Å
α: 90° β: 116.54° γ: 90°
R-values:
R R work R free
0.225 0.223 0.268
Expression system: Escherichia coli BL21(DE3)