› 8djy

X-ray diffraction
2.5Å resolution

The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one

Released:
DOI: 10.2210/pdb8djy/pdb
PDB entry 8djy coloured by chain, front view.
PDB entry 8djy coloured by chain, side view.
PDB entry 8djy coloured by chain, top view.
Source organism: Influenza A virus (A/California/04/2009(H1N1))
Primary publication:
Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Stokes RW, Kohlbrand AJ, Seo H, Sankaran B, Karges J, Cohen SM
OpenAccess logo ACS Med Chem Lett 14 75-82 (2023)
PMID: 36655124

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: 192 amino acids
Theoretical weight: 22.42 KDa
Source organism: Influenza A virus (A/California/04/2009(H1N1))
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: C3W5S0 (Residues: 1-198; Coverage: 26%)
Gene name: PA

Ligands and Environments

2 bound ligands:
Ligand U3L 1 x U3L
Ligand MN 2 x MN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P6222
Unit cell:
a: 75.807Å b: 75.807Å c: 119.978Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.219 0.212 0.286
Expression system: Escherichia coli BL21

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