› 3zzd

X-ray diffraction
2.1Å resolution

Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 85

Released:
DOI: 10.2210/pdb3zzd/pdb
PDB entry 3zzd coloured by chain, front view.
PDB entry 3zzd coloured by chain, side view.
PDB entry 3zzd coloured by chain, top view.
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)
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
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-178365 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3C PROTEINASE Chain: A
Molecule details ›
Chain: A
Length: 183 amino acids
Theoretical weight: 20.32 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:
Ligand G85 1 x G85
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: C2221
Unit cell:
a: 65.87Å b: 69.37Å c: 75.71Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.195 0.257
Expression system: Escherichia coli BL21(DE3)

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