MolNFT v1 · #31920 · protein
The structure of the complex between influenza virus neuraminidase and sialic acid, the viral receptor
2BAT · Neuraminidase N2: “The structure of the complex between influenza virus neuraminidase and sialic acid, the viral receptor”. X-ray diffraction, 7 ligands (NGK, NAG, MAN), 1 pocket (best druggability 0.58). MolNFT v1 #31920 on…
- PDB
- 2BAT
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuraminidase N2
- EC
- 3.2.1.18
- UniProt
- P06820
- Ligands
- NGK, NAG, MAN, BMA, FUL, SIA, CA
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuraminidase N2 (EC 3.2.1.18) | protein | 388 | 5% helix, 48% strand | P06820 |
Ligands and binding sites
- NGK · 2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose · ligand
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 4 copies
- BMA · beta-D-mannopyranose · sugar · 2 copies
- FUL · beta-L-fucopyranose · sugar
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
- CA · Calcium ion · metal · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.58 | 0.77 | 36 | SIA |
Modifications
Observed in the structure: 9 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 2BAT · The structure of the complex between influenza virus neuraminidase and sialic acid, the… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P06820
- Elsewhere: RCSB PDB 2BAT · PDBe 2BAT · UniProt P06820
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