› 3zfe

X-ray diffraction
2.7Å resolution

Human enterovirus 71 in complex with capsid binding inhibitor WIN51711

Released:
DOI: 10.2210/pdb3zfe/pdb
PDB entry 3zfe coloured by chain, front view.
PDB entry 3zfe coloured by chain, side view.
PDB entry 3zfe coloured by chain, top view.
Source organism: Enterovirus A71
Primary publication:
Structure of human enterovirus 71 in complex with a capsid-binding inhibitor.
Plevka P, Perera R, Yap ML, Cardosa J, Kuhn RJ, Rossmann MG
Proc Natl Acad Sci U S A 110 5463-7 (2013)
PMID: 23509286

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-109078 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
VP1 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 32.83 KDa
Source organism: Enterovirus A71
UniProt:
  • Canonical: A9X4C2 (Residues: 566-863; Coverage: 14%)
Sequence domains: picornavirus capsid protein
Structure domains: Jelly Rolls
VP2 Chain: B
Molecule details ›
Chain: B
Length: 254 amino acids
Theoretical weight: 27.8 KDa
Source organism: Enterovirus A71
UniProt:
  • Canonical: A9X4C2 (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: 26.52 KDa
Source organism: Enterovirus A71
UniProt:
  • Canonical: A9X4C2 (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
UniProt:
  • Canonical: B2ZUN0 (Residues: 1-69; Coverage: 3%)
Sequence domains: Picornavirus coat protein (VP4)
Structure domains: Rhinovirus 14, subunit 4

Ligands and Environments

3 bound ligands:
Ligand SPH 1 x SPH
Ligand NA 6 x NA
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-C
Spacegroup: I23
Unit cell:
a: 594.5Å b: 594.5Å c: 594.5Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.24 0.24 not available

Quick links

Citations

8 review citations

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

6 mentions without citation

Rhinovirus Inhibitors: Including a New Target, the Viral RNA.
Real-Hohn et al. (2021)
5 more