MolNFT v1 · #91882 · protein
Influenza B/FLORIDA/4/2006 hemagglutinin Fab CR8071 complex
4FQJ: “Influenza B/FLORIDA/4/2006 hemagglutinin Fab CR8071 complex”. X-ray diffraction, 2 ligands (NAG, BMA), 8 pockets (best druggability 0.69). MolNFT v1 #91882 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FQJ
- Type
- protein
- Length
- 731 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; Antibody CR8071 light chain; Antibody CR8071 heavy chain
- UniProt
- I0B7N4
- Ligands
- NAG, BMA
- Pockets
- 8 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 294 | 8% helix, 33% strand | I0B7N4 |
| L | Antibody CR8071 light chain | protein | 215 | 8% helix, 49% strand | — |
| H | Antibody CR8071 heavy chain | protein | 222 | 7% helix, 51% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
- BMA · beta-D-mannopyranose · sugar
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 870 | 0.69 | 0.75 | 77 | empty |
| 2 | 225 | 0.50 | 0.75 | 31 | empty |
| 3 | 125 | 0.47 | 0.79 | 29 | empty |
| 4 | 135 | 0.43 | 0.76 | 22 | empty |
| 5 | 82 | 0.39 | 0.78 | 18 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1862 Ų buried · 16 hydrogen bonds · protein-protein
- A–H · 717 Ų buried · 14 hydrogen bonds · protein-protein
- A–L · 265 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 4FQJ · Influenza B/Florida/4/2006 hemagglutinin Fab CR8071 complex · the same entry in another collection · chain H against H, 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 I0B7N4
- Elsewhere: RCSB PDB 4FQJ · PDBe 4FQJ · UniProt I0B7N4
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