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Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in germany in complex with human receptor analogue, 6'-sln

Analyse Crystal structure of the haemagglutinin from a H10N7 seal influenza virus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TVF
Type
protein
Length
2,950 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemagglutinin HA1; Hemagglutinin HA2
UniProt
A0A0A7HR51
Ligands
NAG, SIA, GAL, CA
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, IHemagglutinin HA1protein3209% helix, 41% strandA0A0A7HR51
B, D, F, H, J, LHemagglutinin HA2protein17254% helix, 15% strandA0A0A7HR51
KHemagglutinin HA1protein3189% helix, 41% strandA0A0A7HR51

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 17 copies · chains A, D, K, C, E, F, G, B, H, J, I, L
  • SIA · N-acetyl-alpha-neuraminic acid · sugar · 6 copies · chains A, C, E, G, K, I
  • GAL · beta-D-galactopyranose · sugar · 5 copies · chains A, C, E, G, K
  • CA · Calcium ion · metal · 3 copies · chains A, B, H, I, J, D, K, L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19790.860.87122empty
22060.850.9723empty
32040.840.9724empty
411760.840.85134empty
5820.750.9817empty

Interfaces

30 interfaces between chains.

  • G–H · 3342 Ų buried · 40 hydrogen bonds · protein-protein
  • K–L · 3332 Ų buried · 45 hydrogen bonds · protein-protein
  • C–D · 3327 Ų buried · 44 hydrogen bonds · protein-protein
  • E–F · 3326 Ų buried · 41 hydrogen bonds · protein-protein
  • A–B · 3319 Ų buried · 44 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 disulfide, 8 glycan (disulfide, N-glycosylation, glycosylation).

Compared structures

  • 6TVF · Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in… · the same entry in another collection · chain A against A, TM-score 1.00

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