› 5t6s

X-ray diffraction
2.36Å resolution

Crystal structure of the A/Shanghai/2/2013 (H7N9) influenza virus hemagglutinin in complex with the antiviral drug arbidol

Released:
DOI: 10.2210/pdb5t6s/pdb
PDB 5t6s coloured by chain and viewed from the front.
PDB 5t6s coloured by chain and viewed from the side.
PDB 5t6s coloured by chain and viewed from the top.
Source organism: Influenza A virus (A/Shanghai/02/2013(H7N9))
Primary publication:
Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol.
Kadam RU, Wilson IA
Proc Natl Acad Sci U S A 114 206-214 (2017)
PMID: 28003465

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (4 distinct):
Hemagglutinin Chains: A, C, E, G, I, K
Molecule details ›
Chains: A, C, E, G, I, K
Length: 321 amino acids
Theoretical weight: 34.99 KDa
Source organism: Influenza A virus (A/Shanghai/02/2013(H7N9))
Expression system: Trichoplusia ni
UniProt:
  • Canonical: R4NN21 (Residues: 19-339; Coverage: 57%)
Gene name: HA
Sequence domains: Haemagglutinin
Structure domains:
Hemagglutinin Chains: B, D, F, H, J, L
Molecule details ›
Chains: B, D, F, H, J, L
Length: 183 amino acids
Theoretical weight: 21.08 KDa
Source organism: Influenza A virus (A/Shanghai/02/2013(H7N9))
Expression system: Trichoplusia ni
UniProt:
  • Canonical: R4NN21 (Residues: 340-515; Coverage: 31%)
Gene name: HA
Sequence domains: Haemagglutinin
Structure domains: Hemagglutinin Ectodomain; Chain B

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand NAG 15 x NAG
Ligand 75U 6 x 75U
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P21
Unit cell:
a: 67.419Å b: 231.49Å c: 127.85Å
α: 90° β: 96.88° γ: 90°
R-values:
R R work R free
0.206 0.204 0.25
Expression system: Trichoplusia ni

Quick links

Citations

87 review citations

Influenza Virus Entry inhibitors.
Yang et al. (2022)
86 more