› 4cew

X-ray diffraction
2.75Å resolution

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

Released:
DOI: 10.2210/pdb4cew/pdb
PDB entry 4cew coloured by chain, front view.
PDB entry 4cew coloured by chain, side view.
PDB entry 4cew coloured by chain, top view.
Source organism: Enterovirus A71
Primary publication:
More-powerful virus inhibitors from structure-based analysis of HEV71 capsid-binding molecules.
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
Nat Struct Mol Biol 21 282-288 (2014)
PMID: 24509833

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:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero 240-mer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-109785 (preferred)
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:
Ligand 7J5 1 x 7J5
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

Quick links

Citations

10 review citations

Mechanisms of virus assembly.
Perlmutter et al. (2015)
9 more

4 mentions without citation

More-powerful virus inhibitors from structure-based analysis of HEV71 capsid-binding molecules.
De Colibus et al. (2014)
3 more