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Crystal structure of a H5N1 influenza virus hemagglutinin at pH 5.5

Analyse Crystal structure of a H5N1 influenza virus hemagglutinin at pH 5.5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PD3
Type
protein
Length
491 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemagglutinin
UniProt
Q1KHJ8
Ligands
NAG, SO4
Pockets
6 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHemagglutininprotein49125% helix, 29% strandQ1KHJ8

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • SO4 · Sulfate ion · ion · 12 copies · chains A
  • GOL · Glycerol · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13010.610.7931SO4
21430.480.7821SO4
31130.440.7721empty
4830.390.7821empty
5830.320.7315GOL

Modifications

Observed in the structure: 6 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 6PD3 · Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 5.5 · the same entry in another collection · chain A against A, TM-score 1.00

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