MolNFT v1 · #191042 · protein
X-31 hemagglutinin precursor HA0 at pH 7.5
7ZJ6 · HEMAGGLUTININ,FIBRITIN: “X-31 hemagglutinin precursor HA0 at pH 7.5”. Electron microscopy, 4 ligands (NAG, BMA, MAN), 19 pockets (best druggability 0.82). MolNFT v1 #191042 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7ZJ6
- Type
- protein
- Length
- 1,482 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HEMAGGLUTININ,FIBRITIN
- UniProt
- P03437
- Ligands
- NAG, BMA, MAN, FUC
- Pockets
- 19 · best druggability 0.82
Structure
electron microscopy · 1 distinct chain · 23% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | HEMAGGLUTININ,FIBRITIN | protein | 494 | 23% helix, 29% strand | P03437 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 30 copies · chains A, C, B
- BMA · beta-D-mannopyranose · sugar · 9 copies · chains C, A, B
- MAN · alpha-D-mannopyranose · sugar · 6 copies
- FUC · alpha-L-fucopyranose · sugar · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 776 | 0.82 | 0.85 | 66 | empty |
| 2 | 981 | 0.78 | 0.80 | 101 | empty |
| 3 | 987 | 0.78 | 0.80 | 103 | empty |
| 4 | 322 | 0.70 | 0.84 | 46 | empty |
| 5 | 618 | 0.70 | 0.78 | 65 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2266 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 2259 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 2258 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 18 glycan (disulfide, N-glycosylation).
Compared structures
- 7ZJ6 · X-31 Hemagglutinin Precursor HA0 at pH 7.5 · 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 P03437
- Elsewhere: RCSB PDB 7ZJ6 · PDBe 7ZJ6 · UniProt P03437
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