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Extended intermediate form of X-31 influenza haemagglutinin at pH 5 (state IV)

Analyse Extended intermediate form of X-31 influenza haemagglutinin at pH 5 (state IV) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Y5K
Type
protein
Length
1,335 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
X-31 influenza haemagglutinin HA1; X-31 influenza haemagglutinin HA2
UniProt
P03437
Ligands
NAG
Pockets
15 · best druggability 0.69

Structure

electron microscopy · 2 distinct chains · 29% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, EX-31 influenza haemagglutinin HA1protein3129% helix, 37% strandP03437
B, D, FX-31 influenza haemagglutinin HA2protein13377% helix, 5% strandP03437

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, C, E

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

Pockets

15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1500.690.9813empty
23190.660.8137empty
31810.630.8435empty
42480.600.8032empty
52810.600.7834empty

Interfaces

12 interfaces between chains.

  • D–F · 1246 Ų buried · 7 hydrogen bonds · protein-protein
  • B–D · 1198 Ų buried · 5 hydrogen bonds · protein-protein
  • B–F · 1171 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 1058 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 1052 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

  • 6Y5K · Extended Intermediate form of X-31 Influenza Haemagglutinin at pH 5 (State IV) · the same entry in another collection · chain A against A, TM-score 1.00

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