MolNFT v1 · #88311 · protein
Crystal structure of H5 (tyty) DEL133/ILE155THR mutant haemagglutinin
4CQV · Haemagglutinin HA1: “Crystal structure of H5 (tyty) DEL133/ILE155THR mutant haemagglutinin”. X-ray diffraction, 2 ligands (NAG, PO4), 17 pockets (best druggability 0.84). MolNFT v1 #88311 on GenesisL1: 3D structure, binding sites…
- PDB
- 4CQV
- Type
- protein
- Length
- 1,455 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haemagglutinin HA1; Haemagglutinin HA2
- UniProt
- Q207Z6
- Ligands
- NAG, PO4
- Pockets
- 17 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E | Haemagglutinin HA1 | protein | 322 | 9% helix, 41% strand | Q207Z6 |
| B, D, F | Haemagglutinin HA2 | protein | 163 | 55% helix, 12% strand | Q207Z6 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, E, C
- PO4 · Phosphate ion · ion · 6 copies · chains A, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1145 | 0.84 | 0.85 | 131 | empty |
| 2 | 56 | 0.73 | 0.99 | 15 | empty |
| 3 | 918 | 0.72 | 0.76 | 106 | empty |
| 4 | 287 | 0.66 | 0.82 | 50 | PO4 |
| 5 | 378 | 0.62 | 0.77 | 45 | empty |
Interfaces
15 interfaces between chains.
- A–B · 2535 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 2532 Ų buried · 35 hydrogen bonds · protein-protein
- E–F · 2513 Ų buried · 36 hydrogen bonds · protein-protein
- B–F · 1363 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 1347 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 8 glycan (disulfide, N-glycosylation).
Compared structures
- 4CQV · Crystal structure of H5 (tyTy) Del133/Ile155Thr Mutant Haemagglutinin · 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 Q207Z6
- Elsewhere: RCSB PDB 4CQV · PDBe 4CQV · UniProt Q207Z6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.