› 6s5v

X-ray diffraction
1.35Å resolution

Crystal structure of the Cap-Midlink region of the H5N1 Influenza A virus polymerase in complex with a Cap-domain binding analogue

Released:
DOI: 10.2210/pdb6s5v/pdb
PDB entry 6s5v coloured by chain, front view.
PDB entry 6s5v coloured by chain, side view.
PDB entry 6s5v coloured by chain, top view.
Source organism: Influenza A virus (A/duck/Fujian/13/2002(H5N1))
Primary publication:
Design, Synthesis, and Biological Evaluation of Novel Indoles Targeting the Influenza PB2 Cap Binding Region.
McGowan DC, Balemans W, Embrechts W, Motte M, Keown JR, Buyck C, Corbera J, Funes M, Moreno L, Cooymans L, Tahri A, Eymard J, Stoops B, Strijbos R, Van den Berg J, Fodor E, Grimes JM, Koul A, Jonckers THM, Raboisson P, Guillemont J
J Med Chem 62 9680-9690 (2019)
PMID: 31647875

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179563 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polymerase basic protein 2 Chains: AAAA, ABAA
Molecule details ›
Chains: AAAA, ABAA
Length: 304 amino acids
Theoretical weight: 34.25 KDa
Source organism: Influenza A virus (A/duck/Fujian/13/2002(H5N1))
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6E3N3 (Residues: 247-536; Coverage: 38%)
Gene name: PB2
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand KWN 3 x KWN
Ligand GOL 3 x GOL
Ligand K 1 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P43212
Unit cell:
a: 105.703Å b: 105.703Å c: 140.657Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.149 0.148 0.165
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Non-nucleoside structured compounds with antiviral activity-past 10 years (2010-2020).
Denel-Bobrowska et al. (2022)
1 more

3 mentions without citation

Development of Azaindole-Based Frameworks as Potential Antiviral Agents and Their Future Perspectives.
Urvashi et al. (2022)
2 more