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Broadly protective antibodies directed to a subdominant influenza hemagglutinin epitope

Analyse Broadly protective antibodies directed to a subdominant influenza hemagglutinin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N5B
Type
protein
Length
654 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antibody heavy chain; Antibody light chain; Hemagglutinin
Ligands
NGA
Pockets
7 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HAntibody heavy chainprotein2227% helix, 48% strand—
LAntibody light chainprotein2118% helix, 53% strand—
BHemagglutininprotein22112% helix, 36% strand—

Ligands and binding sites

  • NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · chains H, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12240.640.8344empty
25140.600.7451empty
32090.530.7829empty
4870.370.7717empty
5740.350.7715empty

Interfaces

3 interfaces between chains.

  • H–L · 1944 Ų buried · 13 hydrogen bonds · protein-protein
  • H–B · 679 Ų buried · 8 hydrogen bonds · protein-protein
  • L–B · 227 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 1 glycan (disulfide, O-glycosylation).

Compared structures

  • 6N5B · Broadly protective antibodies directed to a subdominant influenza hemagglutinin epitope · the same entry in another collection · chain H against H, TM-score 1.00

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