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The crystal structure of neuraminidase from a H3N8 influenza virus isolated from new england harbor seals

Analyse The crystal structure of neuraminidase from a H3N8 influenza virus isolated… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4WA3
Type
protein
Length
388 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neuraminidase
UniProt
I6NW33
Ligands
NAG, FUC, CA, NI
Pockets
1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeuraminidaseprotein3884% helix, 47% strandI6NW33

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • FUC · alpha-L-fucopyranose · sugar · chains A
  • CA · Calcium ion · metal · chains A
  • NI · Nickel (II) ion · metal

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13810.640.7941empty

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 4WA3 · The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New… · the same entry in another collection · chain A against A, TM-score 1.00

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