1c8m

X-ray diffraction
2.8Å resolution

REFINED CRYSTAL STRUCTURE OF HUMAN RHINOVIRUS 16 COMPLEXED WITH VP63843 (PLECONARIL), AN ANTI-PICORNAVIRAL DRUG CURRENTLY IN CLINICAL TRIALS

Released:

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
hetero 120-mer
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Capsid protein VP1 Chain: 1
Molecule details ›
Chain: 1
Length: 285 amino acids
Theoretical weight: 32.5 KDa
Source organism: rhinovirus A16
UniProt:
  • Canonical: Q82122 (Residues: 569-853; Coverage: 13%)
Sequence domains: picornavirus capsid protein
Structure domains: Jelly Rolls
Capsid protein VP2 Chain: 2
Molecule details ›
Chain: 2
Length: 252 amino acids
Theoretical weight: 28.1 KDa
Source organism: rhinovirus A16
UniProt:
  • Canonical: Q82122 (Residues: 79-330; Coverage: 12%)
Sequence domains: picornavirus capsid protein
Structure domains: Jelly Rolls
Capsid protein VP3 Chain: 3
Molecule details ›
Chain: 3
Length: 238 amino acids
Theoretical weight: 26.31 KDa
Source organism: rhinovirus A16
UniProt:
  • Canonical: Q82122 (Residues: 331-568; Coverage: 11%)
Sequence domains: picornavirus capsid protein
Structure domains: Jelly Rolls
Capsid protein VP4 Chain: 4
Molecule details ›
Chain: 4
Length: 77 amino acids
Theoretical weight: 8.27 KDa
Source organism: rhinovirus A16
UniProt:
  • Canonical: Q82122 (Residues: 2-78; Coverage: 4%)
Sequence domains: Picornavirus coat protein (VP4)

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Unit cell:
a: 360.3Å b: 343.33Å c: 332.63Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.262 0.219 0.226