MolNFT v1 · #56836 · protein
HA3 subcomponent of botulinum type C progenitor toxin
2ZS6 · Hemagglutinin components HA3: “HA3 subcomponent of botulinum type C progenitor toxin”. X-ray diffraction, 5 pockets (best druggability 0.70). MolNFT v1 #56836 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2ZS6
- Type
- protein
- Length
- 597 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin components HA3
- UniProt
- P46085
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin components HA3 | protein | 177 | 11% helix, 46% strand | P46085 |
| B | Hemagglutinin components HA3 | protein | 420 | 6% helix, 47% strand | P46085 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.70 | 0.89 | 42 | empty |
| 2 | 288 | 0.64 | 0.81 | 41 | empty |
| 3 | 227 | 0.56 | 0.78 | 32 | empty |
| 4 | 134 | 0.49 | 0.79 | 21 | empty |
| 5 | 68 | 0.39 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2572 Ų buried · 64 hydrogen bonds · protein-protein
Compared structures
- 2ZS6 · HA3 subcomponent of botulinum type C progenitor toxin · 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 P46085
- Elsewhere: RCSB PDB 2ZS6 · PDBe 2ZS6 · UniProt P46085
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