4cew

X-ray diffraction
2.75Å resolution

Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD

Released:
Source organism: Enterovirus A71
Entry authors: De Colibus L, Wang X, Spyrou JAB, Kelly J, Ren J, Grimes J, Puerstinger G, Stonehouse N, Walter TS, Hu Z, Wang J, Li X, Peng W, Rowlands D, Fry EE, Rao Z, Stuart DI

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

Assemblies composition:
hetero 240-mer (preferred)
hetero tetramer
hetero icosamer
hetero 24-mer
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
VP1 Chain: A
Molecule details ›
Chain: A
Length: 297 amino acids
Theoretical weight: 32.7 KDa
Source organism: Enterovirus A71
Expression system: Chlorocebus aethiops
UniProt:
  • Canonical: B2ZUN0 (Residues: 566-862; Coverage: 14%)
Sequence domains: picornavirus capsid protein
Structure domains: Jelly Rolls
VP2 Chain: B
Molecule details ›
Chain: B
Length: 254 amino acids
Theoretical weight: 27.74 KDa
Source organism: Enterovirus A71
Expression system: Chlorocebus aethiops
UniProt:
  • Canonical: B2ZUN0 (Residues: 70-323; Coverage: 12%)
Sequence domains: picornavirus capsid protein
Structure domains: Jelly Rolls
VP3 Chain: C
Molecule details ›
Chain: C
Length: 242 amino acids
Theoretical weight: 26.47 KDa
Source organism: Enterovirus A71
Expression system: Chlorocebus aethiops
UniProt:
  • Canonical: B2ZUN0 (Residues: 324-565; Coverage: 11%)
Sequence domains: picornavirus capsid protein
Structure domains: Jelly Rolls
VP4 Chain: D
Molecule details ›
Chain: D
Length: 69 amino acids
Theoretical weight: 7.5 KDa
Source organism: Enterovirus A71
Expression system: Chlorocebus aethiops
UniProt:
  • Canonical: B2ZUN0 (Residues: 1-69; Coverage: 3%)
Sequence domains: Picornavirus coat protein (VP4)
Structure domains: Rhinovirus 14, subunit 4

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: I23
Unit cell:
a: 600.331Å b: 600.331Å c: 600.331Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.302 0.302 0.308
Expression system: Chlorocebus aethiops