MolNFT v1 · #88891 · protein
Influenza na in complex with antiviral compound
4D8S · Neuraminidase: “Influenza na in complex with antiviral compound”. X-ray diffraction, 2 ligands (0HX, CA), 2 pockets (best druggability 0.63). MolNFT v1 #88891 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4D8S
- 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
- Q07599
- Ligands
- 0HX, CA
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuraminidase (EC 3.2.1.18) | protein | 388 | 4% helix, 47% strand | Q07599 |
Ligands and binding sites
- 0HX · pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid · ligand · 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 | 323 | 0.63 | 0.80 | 48 | 0HX |
| 2 | 58 | 0.30 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4D8S · Influenza NA in complex with antiviral compound · 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 Q07599
- Elsewhere: RCSB PDB 4D8S · PDBe 4D8S · UniProt Q07599
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