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N8 neuraminidase in complex with zanamivir

Analyse N8 neuraminidase in complex with zanamivir in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2HTQ
Type
protein
Length
387 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neuraminidase
EC
3.2.1.18
UniProt
Q07599
Ligands
ZMR
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeuraminidase (EC 3.2.1.18)protein3873% helix, 42% strandQ07599

Ligands and binding sites

  • ZMR · Zanamivir · ligand · chains A

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
12320.620.8239ZMR

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 2HTQ · N8 neuraminidase in complex with zanamivir · the same entry in another collection · chain A against A, TM-score 1.00

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