› 4m5u

X-ray diffraction
2.2Å resolution

5-(4-FLUOROPHENYL)-3-HYDROXY-6-[4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENYL]-1,2-DIHYDROPYRIDIN-2-ONE bound to influenza 2009 pH1N1 endonuclease

Released:
DOI: 10.2210/pdb4m5u/pdb
PDB entry 4m5u coloured by chain, front view.
PDB entry 4m5u coloured by chain, side view.
PDB entry 4m5u coloured by chain, top view.
Source organism: Influenza A virus (A/Lima/WRAIR1695P/2009(H1N1))
Primary publication:
Phenyl substituted 3-hydroxypyridin-2(1H)-ones: inhibitors of influenza A endonuclease.
Parhi AK, Xiang A, Bauman JD, Patel D, Vijayan RS, Das K, Arnold E, Lavoie EJ
Bioorg Med Chem 21 6435-46 (2013)
PMID: 24055080

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-164797 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polymerase PA Chain: A
Molecule details ›
Chain: A
Length: 241 amino acids
Theoretical weight: 28.51 KDa
Source organism: Influenza A virus (A/Lima/WRAIR1695P/2009(H1N1))
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

3 bound ligands:
Ligand MN 3 x MN
Ligand SO4 1 x SO4
Ligand 20F 1 x 20F
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: C2221
Unit cell:
a: 88.361Å b: 100.119Å c: 66.533Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.182 0.206
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Progress of small molecular inhibitors in the development of anti-influenza virus agents.
Wu et al. (2017)
3 more

3 mentions without citation

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
2 more