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Parainfluenza virus 5 (SV5) hemagglutinin-neuraminidase (hn) with ligand dana (soaked with dana, PH8.0)

Analyse Parainfluenza virus 5 (SV5) hemagglutinin-neuraminidase (hn) with ligand dana… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1Z4W
Type
protein
Length
448 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemagglutinin-neuraminidase
EC
3.2.1.18
UniProt
P04850
Ligands
DAN, NAG, CA
Pockets
2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHemagglutinin-neuraminidase (EC 3.2.1.18)protein4488% helix, 46% strandP04850

Ligands and binding sites

  • DAN · 2-deoxy-2,3-dehydro-N-acetyl-neuraminic acid · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13600.650.8036DAN
2940.480.8125empty

Modifications

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

Compared structures

  • 1Z4W · Parainfluenza Virus 5 (SV5) Hemagglutinin-Neuraminidase (HN) with ligand DANA (soaked… · the same entry in another collection · chain A against A, TM-score 1.00

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