MolNFT v1 · #63077 · protein
Structure of influenza haemagglutinin in complex with an inhibitor of membrane fusion
3EYK · Hemagglutinin HA1 chain: “Structure of influenza haemagglutinin in complex with an inhibitor of membrane fusion”. X-ray diffraction, 1 ligand (EYK), 3 pockets (best druggability 0.58). MolNFT v1 #63077 on GenesisL1: 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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