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MolNFT v1 · #97758 · protein

The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with human receptor analog 6'SLNLN (NEUACα2- 6GALβ1-4GLCNACβ1-3GALβ1-4GLC)

4KON · Hemagglutinin HA1: “The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with human receptor analog…”. X-ray diffraction, 3 ligands (NAG, GAL, SIA), 3 pockets (best druggability 0.64). MolNFT v1 #97758 on…

PDB
4KON
Type
protein
Length
483 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemagglutinin HA1; Hemagglutinin HA2
Ligands
NAG, GAL, SIA
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHemagglutinin HA1protein3149% helix, 39% strand—
BHemagglutinin HA2protein16949% helix, 11% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B
  • GAL · beta-D-galactopyranose · sugar · chains A
  • SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12330.640.8325empty
21260.470.7922empty
3620.410.8116empty

Interfaces

1 interface between chains.

  • A–B · 3018 Ų buried · 34 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

  • 4KON · The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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