› 5wf3

X-ray diffraction
2.25Å resolution

Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9k (SRI-30023)

Released:
DOI: 10.2210/pdb5wf3/pdb
PDB entry 5wf3 coloured by chain, front view.
PDB entry 5wf3 coloured by chain, side view.
PDB entry 5wf3 coloured by chain, top view.
Source organism: Influenza A virus (A/California/04/2009(H1N1))
Primary publication:
Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Beylkin D, Kumar G, Zhou W, Park J, Jeevan T, Lagisetti C, Harfoot R, Webby RJ, White SW, Webb TR
Sci Rep 7 17139 (2017)
PMID: 29215062

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-111233 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polymerase acidic protein Chain: A
Molecule details ›
Chain: A
Length: 197 amino acids
Theoretical weight: 23.13 KDa
Source organism: Influenza A virus (A/California/04/2009(H1N1))
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C3W5S0 (Residues: 1-50, 73-196; Coverage: 24%)
Gene name: PA
Structure domains: Influenza RNA-dependent RNA polymerase subunit PA, endonuclease domain

Ligands and Environments

3 bound ligands:
Ligand MN 2 x MN
Ligand SO4 2 x SO4
Ligand KU2 1 x KU2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: I422
Unit cell:
a: 90.679Å b: 90.679Å c: 133.752Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.204 0.227
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 citation in other articles

New anti-viral drugs for the treatment of COVID-19 instead of favipiravir.
Aktaş et al. (2021)
6 more

1 mention without citation

Crystallographically correct but confusing presentation of structural models deposited in the Protein Data Bank.
Dauter et al. (2018)