MolNFT v1 · #117371 · protein
The complex structure of hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-N-ac-sia
5E66: “The complex structure of hemagglutinin-esterase-fusion mutant protein from the influenza D virus with…”. X-ray diffraction, 4 ligands (5KQ, NAG, MAN), 2 pockets (best druggability 0.31). MolNFT v1 #117371 on GenesisL1: 3D structure…
- PDB
- 5E66
- Type
- protein
- Length
- 573 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin-esterase
- UniProt
- K9LG83
- Ligands
- 5KQ, NAG, MAN, BMA
- Pockets
- 2 · best druggability 0.31
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin-esterase | protein | 424 | 13% helix, 32% strand | K9LG83 |
| B | Hemagglutinin-esterase | protein | 149 | 34% helix, 10% strand | K9LG83 |
Ligands and binding sites
- 5KQ · (6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid · ligand · 2 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A
- BMA · beta-D-mannopyranose · sugar · chains A
- CAC · Cacodylate ion · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 70 | 0.31 | 0.74 | 12 | empty |
| 2 | 53 | 0.30 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 3261 Ų buried · 54 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide, 5 glycan (disulfide, N-glycosylation).
Compared structures
- 5E66 · The complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza… · 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 5E66 · PDBe 5E66 · UniProt K9LG83
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