MolNFT v1 · #109117 · protein
The crystal structure of hemagglutinin from A/GREEN-winged TEAL/TEXAS/Y171/2006 influenza virus
4WSW · Hemagglutinin HA1 chain: “The crystal structure of hemagglutinin from A/GREEN-winged TEAL/TEXAS/Y171/2006 influenza virus”. X-ray diffraction, 1 ligand (NAG), 20 pockets (best druggability 0.84). MolNFT v1 #109117 on GenesisL1: 3D…
- PDB
- 4WSW
- Type
- protein
- Length
- 1,473 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1 chain; Hemagglutinin HA2 chain
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E | Hemagglutinin HA1 chain | protein | 319 | 8% helix, 42% strand | — |
| B, D, F | Hemagglutinin HA2 chain | protein | 172 | 53% helix, 15% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 513 | 0.84 | 0.90 | 47 | empty |
| 2 | 203 | 0.84 | 0.97 | 26 | empty |
| 3 | 200 | 0.81 | 0.95 | 41 | empty |
| 4 | 996 | 0.77 | 0.80 | 124 | empty |
| 5 | 90 | 0.75 | 0.97 | 17 | empty |
Interfaces
15 interfaces between chains.
- C–D · 3265 Ų buried · 45 hydrogen bonds · protein-protein
- A–B · 3156 Ų buried · 41 hydrogen bonds · protein-protein
- E–F · 3153 Ų buried · 40 hydrogen bonds · protein-protein
- B–D · 1536 Ų buried · 17 hydrogen bonds · protein-protein
- B–F · 1515 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 12 glycan (disulfide, N-glycosylation).
Compared structures
- 4WSW · The crystal structure of hemagglutinin from A/green-winged teal/Texas/Y171/2006 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
- Elsewhere: RCSB PDB 4WSW · PDBe 4WSW
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