› 1po1

X-ray diffraction
2.9Å resolution

POLIOVIRUS (TYPE 1, MAHONEY) IN COMPLEX WITH R80633, AN INHIBITOR OF VIRAL REPLICATION

Released:
DOI: 10.2210/pdb1po1/pdb
PDB entry 1po1 coloured by chain, front view.
PDB entry 1po1 coloured by chain, side view.
PDB entry 1po1 coloured by chain, top view.
Source organism: Human poliovirus 1 Mahoney
Primary publication:
Ligand-induced conformational changes in poliovirus-antiviral drug complexes.
Hiremath CN, Filman DJ, Grant RA, Hogle JM
Acta Crystallogr D Biol Crystallogr 53 558-70 (1997)
PMID: 15299887

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 domain:

Structure analysis Details

Assembly composition:
hetero 300-mer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136710 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
POLIOVIRUS TYPE 1 MAHONEY Chain: 0
Molecule details ›
Chain: 0
Length: 5 amino acids
Theoretical weight: 437 Da
Source organism: Human poliovirus 1 Mahoney
Capsid protein VP1 Chain: 1
Molecule details ›
Chain: 1
Length: 302 amino acids
Theoretical weight: 33.49 KDa
Source organism: Human poliovirus 1 Mahoney
UniProt:
  • Canonical: P03300 (Residues: 580-881; Coverage: 14%)
Sequence domains: picornavirus capsid protein
Structure domains: Jelly Rolls
Capsid protein VP2 Chain: 2
Molecule details ›
Chain: 2
Length: 272 amino acids
Theoretical weight: 30.08 KDa
Source organism: Human poliovirus 1 Mahoney
UniProt:
  • Canonical: P03300 (Residues: 70-341; 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: 26.55 KDa
Source organism: Human poliovirus 1 Mahoney
UniProt:
  • Canonical: P03300 (Residues: 342-579; Coverage: 11%)
Sequence domains: picornavirus capsid protein
Structure domains: Jelly Rolls
Capsid protein VP4 Chain: 4
Molecule details ›
Chain: 4
Length: 68 amino acids
Theoretical weight: 7.39 KDa
Source organism: Human poliovirus 1 Mahoney
UniProt:
  • Canonical: P03300 (Residues: 2-69; Coverage: 3%)
Sequence domains: Picornavirus coat protein (VP4)
Structure domains: Picornavirus coat protein VP4

Ligands and Environments

2 bound ligands:
Ligand J80 1 x J80
Ligand MYR 1 x MYR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELLIOTT GX-13
Spacegroup: P21212
Unit cell:
a: 322.94Å b: 358.04Å c: 380.15Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.241 0.241 not available

Quick links

Citations

1 review citation

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

2 mentions without citation

Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra.
Evangelidis et al. (2018)
1 more