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Structure of Influenza Hemagglutinin ectodomain (A/duck/Alberta/35/76)

Analyse Structure of Influenza Hemagglutinin ectodomain (A/duck/Alberta/35/76) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HJN
Type
protein
Length
1,488 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.3
Source
Influenza A virus (strain A/Duck/Alberta/35/1976 H1N1)
Molecule
Hemagglutinin
UniProt
Q9WCE0, P26562
Ligands
UPL, NAG, BMA, MAN, FUC
Pockets
20 · best druggability 0.86

Structure

electron microscopy · resolution 3.3 · 2 distinct chains · 23% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, EHemagglutininprotein3237% helix, 34% strandQ9WCE0
B, D, FHemagglutininprotein17353% helix, 8% strandP26562

Ligands and binding sites

  • UPL · Unknown branched fragment of phospholipid · ligand · 3 copies · chains A, B, D, C, F, E
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 30 copies · chains A, B, D, F, C, E
  • BMA · beta-D-mannopyranose · sugar · 6 copies
  • MAN · alpha-D-mannopyranose · sugar · 6 copies
  • FUC · alpha-L-fucopyranose · sugar · 3 copies · chains A, C, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13670.860.9561empty
26610.800.8591empty
34690.800.8764empty
47750.740.7955empty
57510.730.7954empty

Interfaces

15 interfaces between chains.

  • F–E · 2727 Ų buried · 31 hydrogen bonds · protein-protein
  • A–B · 2724 Ų buried · 30 hydrogen bonds · protein-protein
  • D–C · 2721 Ų buried · 30 hydrogen bonds · protein-protein
  • B–F · 1142 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 1140 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 disulfide, 15 glycan (disulfide, N-glycosylation).

Compared structures

  • 6HJN · Structure of influenza hemagglutinin ectodomain (A/DUCK/ALBERTA/35/76) · the same entry in another collection · chain A against A, TM-score 1.00

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