Research workbench
Crystal structures of globular head of 2009 pandemic H1N1 hemagglutinin
Analyse Crystal structures of globular head of 2009 pandemic H1N1 hemagglutinin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UYW
- Type
- protein
- Length
- 856 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- C3W5S1
- Ligands
- TAU
- Pockets
- 17 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hemagglutinin | protein | 214 | 12% helix, 37% strand | C3W5S1 |
Ligands and binding sites
- TAU · 2-aminoethanesulfonic acid · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 665 | 0.68 | 0.76 | 75 | empty |
| 2 | 506 | 0.64 | 0.76 | 49 | empty |
| 3 | 313 | 0.59 | 0.78 | 41 | empty |
| 4 | 266 | 0.52 | 0.75 | 30 | empty |
| 5 | 66 | 0.52 | 0.86 | 21 | empty |
Interfaces
4 interfaces between chains.
- A–D · 670 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 654 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 301 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 181 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3UYW · Crystal structures of globular head of 2009 pandemic H1N1 hemagglutinin · 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 C3W5S1
- Elsewhere: RCSB PDB 3UYW · PDBe 3UYW · UniProt C3W5S1
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