MolNFT v1 · #108550 · protein
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from new england harbor seals in complex with zanamivir
4WA5: “The crystal structure of neuraminidase from a H3N8 influenza virus isolated from new england harbor seals in…”. X-ray diffraction, 4 ligands (ZMR, NAG, FUC), 2 pockets (best druggability 0.64). MolNFT v1 #108550 on GenesisL1: 3D…
- PDB
- 4WA5
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuraminidase
- UniProt
- I6NW33
- Ligands
- ZMR, NAG, FUC, CA
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuraminidase | protein | 388 | 4% helix, 46% strand | I6NW33 |
Ligands and binding sites
- ZMR · Zanamivir · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- FUC · alpha-L-fucopyranose · 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
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 | 326 | 0.64 | 0.80 | 44 | ZMR |
| 2 | 80 | 0.33 | 0.74 | 15 | empty |
Modifications
Observed in the structure: 8 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 4WA5 · 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
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 I6NW33
- Elsewhere: RCSB PDB 4WA5 · PDBe 4WA5 · UniProt I6NW33
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