MolNFT v1 · #117369 · protein
Hemagglutinin-esterase-fusion protein structure of influenza D virus
5E64: “Hemagglutinin-esterase-fusion protein structure of influenza D virus”. X-ray diffraction, 3 ligands (NAG, MAN, BMA), 6 pockets (best druggability 0.48). MolNFT v1 #117369 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5E64
- Type
- protein
- Length
- 1,143 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin-esterase
- UniProt
- K9LG83
- Ligands
- NAG, MAN, BMA
- Pockets
- 6 · best druggability 0.48
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin-esterase | protein | 424 | 14% helix, 34% strand | K9LG83 |
| B, D | Hemagglutinin-esterase | protein | 149 | 46% helix, 13% strand | K9LG83 |
| C | Hemagglutinin-esterase | protein | 421 | 14% helix, 34% strand | K9LG83 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 18 copies · chains A, B, C, D
- MAN · alpha-D-mannopyranose · sugar · 9 copies · chains A, D, C
- BMA · beta-D-mannopyranose · sugar · 3 copies · chains A, C
- CAC · Cacodylate ion · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 239 | 0.48 | 0.74 | 32 | empty |
| 2 | 195 | 0.46 | 0.75 | 32 | CAC |
| 3 | 154 | 0.45 | 0.76 | 32 | empty |
| 4 | 110 | 0.41 | 0.77 | 22 | empty |
| 5 | 80 | 0.34 | 0.75 | 19 | empty |
Interfaces
3 interfaces between chains.
- C–D · 3304 Ų buried · 63 hydrogen bonds · protein-protein
- A–B · 3304 Ų buried · 56 hydrogen bonds · protein-protein
- A–C · 641 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 10 glycan (disulfide, N-glycosylation).
Compared structures
- 5E64 · Hemagglutinin-esterase-fusion protein structure of influenza D virus · 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 K9LG83
- Elsewhere: RCSB PDB 5E64 · PDBe 5E64 · UniProt K9LG83
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.