› 4w9s

X-ray diffraction
1.8Å resolution

2-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxypyrimidin-4(3H)-one bound to influenza 2009 H1N1 endonuclease

Released:
DOI: 10.2210/pdb4w9s/pdb
PDB entry 4w9s coloured by chain, front view.
PDB entry 4w9s coloured by chain, side view.
PDB entry 4w9s coloured by chain, top view.
Source organism: Influenza A virus (A/duck/Hokkaido/8/1980(H3N8))
Primary publication:
Phenyl substituted 4-hydroxypyridazin-3(2H)-ones and 5-hydroxypyrimidin-4(3H)-ones: inhibitors of influenza A endonuclease.
Sagong HY, Bauman JD, Patel D, Das K, Arnold E, LaVoie EJ
J Med Chem 57 8086-98 (2014)
PMID: 25225968

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146489 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polymerase acidic protein Chain: A
Molecule details ›
Chain: A
Length: 241 amino acids
Theoretical weight: 28.51 KDa
Source organism: Influenza A virus (A/duck/Hokkaido/8/1980(H3N8))
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P13166 (Residues: 1-204; Coverage: 29%)
Gene name: PA

Ligands and Environments

3 bound ligands:
Ligand MN 2 x MN
Ligand SO4 2 x SO4
Ligand 3K1 1 x 3K1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: C2221
Unit cell:
a: 87.986Å b: 101.637Å c: 66.512Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.176 0.209
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

Influenza virus RNA polymerase: insights into the mechanisms of viral RNA synthesis.
Te Velthuis et al. (2016)
7 more

2 mentions without citation

Fragment-Based Identification of Influenza Endonuclease Inhibitors.
Credille et al. (2016)
1 more