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:
Primary publication:
Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol.
Proc Natl Acad Sci U S A 114 206-214 (2017)
PMID: 28003465

Function and Biology Details

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 : NEW Components: NAG
3 bound ligands:
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