Research workbench
Structure of influenza haemagglutinin in complex with an inhibitor of membrane fusion
Analyse Structure of influenza haemagglutinin in complex with an inhibitor of membrane… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EYK
- Type
- protein
- Length
- 491 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1 chain; Hemagglutinin HA2 chain
- UniProt
- P26137
- Ligands
- EYK
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin HA1 chain | protein | 319 | 10% helix, 39% strand | P26137 |
| B | Hemagglutinin HA2 chain | protein | 172 | 55% helix, 13% strand | P26137 |
Ligands and binding sites
- EYK · 2-tert-butylbenzene-1,4-diol · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.58 | 0.88 | 19 | empty |
| 2 | 260 | 0.52 | 0.75 | 34 | empty |
| 3 | 103 | 0.46 | 0.80 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 2996 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3EYK · Structure of Influenza Haemagglutinin in complex with an inhibitor of membrane fusion · 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 P26137
- Elsewhere: RCSB PDB 3EYK · PDBe 3EYK · UniProt P26137
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