MolNFT v1 · #91885 · protein
Structure of B/BRISBANE/60/2008 influenza hemagglutinin
4FQM · Hemagglutinin HA1: “Structure of B/BRISBANE/60/2008 influenza hemagglutinin”. X-ray diffraction, 2 ligands (NAG, BMA), 20 pockets (best druggability 0.90). MolNFT v1 #91885 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4FQM
- Type
- protein
- Length
- 3,060 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1; Hemagglutinin HA2
- UniProt
- C0LT38
- Ligands
- NAG, BMA
- Pockets
- 20 · best druggability 0.90
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Hemagglutinin HA1 | protein | 341 | 8% helix, 31% strand | C0LT38 |
| B, D, F, H, J, L | Hemagglutinin HA2 | protein | 169 | 49% helix, 9% strand | C0LT38 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 75 copies · chains A, K, B, C, D, E, F, G, H, I, J, L
- BMA · beta-D-mannopyranose · sugar · 16 copies · chains K, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1125 | 0.90 | 0.92 | 144 | empty |
| 2 | 1137 | 0.90 | 0.91 | 153 | empty |
| 3 | 1067 | 0.87 | 0.88 | 98 | empty |
| 4 | 1037 | 0.87 | 0.88 | 93 | empty |
| 5 | 85 | 0.78 | 0.99 | 14 | empty |
Interfaces
31 interfaces between chains.
- I–J · 3011 Ų buried · 45 hydrogen bonds · protein-protein
- G–H · 3006 Ų buried · 42 hydrogen bonds · protein-protein
- E–F · 3005 Ų buried · 45 hydrogen bonds · protein-protein
- A–B · 2971 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 2964 Ų buried · 40 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 46 glycan, 42 disulfide (N-glycosylation, disulfide).
Compared structures
- 4FQM · Structure of B/Brisbane/60/2008 Influenza Hemagglutinin · the same entry in another collection · chain B against B, 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 C0LT38
- Elsewhere: RCSB PDB 4FQM · PDBe 4FQM · UniProt C0LT38
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