MolNFT v1 · #94546 · protein
Crystal structure of influenza a neuraminidase N3 complexed with oseltamivir
4HZX: “Crystal structure of influenza a neuraminidase N3 complexed with oseltamivir”. X-ray diffraction, 4 ligands (G39, NAG, FUC), 2 pockets (best druggability 0.55). MolNFT v1 #94546 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4HZX
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuraminidase
- UniProt
- A9YN63
- Ligands
- G39, NAG, FUC, CA
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuraminidase | protein | 388 | 2% helix, 48% strand | A9YN63 |
Ligands and binding sites
- G39 · (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy) cyclohex-1-ene-1-carboxylic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A
- CA · Calcium ion · metal · 2 copies · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.55 | 0.78 | 31 | G39 |
| 2 | 70 | 0.39 | 0.79 | 18 | empty |
Modifications
Observed in the structure: 9 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 4HZX · Crystal structure of influenza A neuraminidase N3 complexed with oseltamivir · 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 A9YN63
- Elsewhere: RCSB PDB 4HZX · PDBe 4HZX · UniProt A9YN63
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.