MolNFT v1 · #109114 · protein
The crystal structure of hemagglutinin from A/TAIWAN/1/2013 influenza virus
4WST · Hemagglutinin HA1 chain: “The crystal structure of hemagglutinin from A/TAIWAN/1/2013 influenza virus”. X-ray diffraction, 1 ligand (NAG), 20 pockets (best druggability 0.86). MolNFT v1 #109114 on GenesisL1: 3D structure, binding…
- PDB
- 4WST
- Type
- protein
- Length
- 2,958 residues
- Chains
- 12
- 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 0.86
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Hemagglutinin HA1 chain | protein | 325 | 10% helix, 38% strand | — |
| B, D, F, H, J, L | Hemagglutinin HA2 chain | protein | 168 | 55% helix, 13% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 18 copies · chains A, C, E, G, I, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1112 | 0.86 | 0.87 | 147 | empty |
| 2 | 724 | 0.85 | 0.88 | 104 | empty |
| 3 | 120 | 0.81 | 0.98 | 17 | empty |
| 4 | 281 | 0.81 | 0.92 | 47 | empty |
| 5 | 114 | 0.80 | 0.99 | 16 | empty |
Interfaces
32 interfaces between chains.
- A–B · 2757 Ų buried · 43 hydrogen bonds · protein-protein
- C–D · 2735 Ų buried · 41 hydrogen bonds · protein-protein
- K–L · 2726 Ų buried · 41 hydrogen bonds · protein-protein
- E–F · 2716 Ų buried · 44 hydrogen bonds · protein-protein
- G–H · 2691 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 disulfide, 18 glycan (disulfide, N-glycosylation).
Compared structures
- 4WST · The crystal structure of hemagglutinin from A/Taiwan/1/2013 influenza 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
- Elsewhere: RCSB PDB 4WST · PDBe 4WST
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