5iyt

X-ray diffraction
1.73Å resolution

Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide

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-131641 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protease 3C Chains: A, B
Molecule details ›
Chains: A, B
Length: 191 amino acids
Theoretical weight: 21.4 KDa
Source organism: Echovirus 1 (strain Farouk / ATCC VR-1038)
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O91734 (Residues: 1540-1722; 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: ALBA BEAMLINE XALOC
Spacegroup: P21
Unit cell:
a: 57.46Å b: 52.33Å c: 62.27Å
α: 90° β: 103.73° γ: 90°
R-values:
R R work R free
0.189 0.187 0.217
Expression system: Escherichia coli BL21(DE3)