› 4avg

X-ray diffraction
2.2Å resolution

Influenza strain pH1N1 2009 polymerase subunit PA endonuclease in complex with diketo compound 2

Released:
DOI: 10.2210/pdb4avg/pdb
PDB 4avg coloured by chain and viewed from the front.
PDB 4avg coloured by chain and viewed from the side.
PDB 4avg coloured by chain and viewed from the top.
Source organism: Influenza A virus
Primary publication:
Structural Analysis of Specific Metal Chelating Inhibitor Binding to the Endonuclease Domain of Influenza pH1N1 (2009) Polymerase.
Kowalinski E, Zubieta C, Wolkerstorfer A, Szolar OH, Ruigrok RW, Cusack S
OpenAccess logo PLoS Pathog. 8 e1002831 (2012)
PMID: 22876177

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polymerase acidic protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 204 amino acids
Theoretical weight: 23.94 KDa
Source organism: Influenza A virus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C3W5S0 (Residues: 1-198; Coverage: 28%)
Gene name: PA
Sequence domains: Influenza RNA-dependent RNA polymerase subunit PA
Structure domains: Influenza RNA-dependent RNA polymerase subunit PA, endonuclease domain

Ligands and Environments

2 bound ligands:
Ligand SL6 4 x SL6
Ligand MN 8 x MN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 56.59Å b: 120.81Å c: 128.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.196 0.252
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

21 review citations

Computational anti-COVID-19 drug design: progress and challenges.
Wang et al. (2022)
20 more

2 mentions without citation

Structural analysis of specific metal chelating inhibitor binding to the endonuclease domain of influenza pH1N1 (2009) polymerase.
Kowalinski et al. (2012)
1 more