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MolNFT v1 · #151184 · protein

Influenza a virus N9 neuraminidase complex with nana (TERN/AUSTRALIA).

6HG0: “Influenza a virus N9 neuraminidase complex with nana (TERN/AUSTRALIA).”. X-ray diffraction, 7 ligands (MAN, NAG, SIA), 1 pocket (best druggability 0.61). MolNFT v1 #151184 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6HG0
Type
protein
Length
388 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neuraminidase
EC
3.2.1.18
UniProt
P03472
Ligands
MAN, NAG, SIA, BMA, CA, K, PO4
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeuraminidase (EC 3.2.1.18)protein3883% helix, 45% strandP03472

Ligands and binding sites

  • MAN · alpha-D-mannopyranose · sugar · 7 copies
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
  • SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains A
  • BMA · beta-D-mannopyranose · sugar
  • CA · Calcium ion · metal · 2 copies · chains A
  • K · Potassium ion · metal
  • PO4 · Phosphate ion · ion · chains A
  • GOL · Glycerol · additive · 4 copies · 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
12840.610.8046SIA

Modifications

Observed in the structure: 9 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

  • 6HG0 · Influenza A Virus N9 Neuraminidase complex with NANA (Tern/Australia). · the same entry in another collection · chain A against A, TM-score 1.00

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