MolNFT v1 · #56717 · protein
HA3 subcomponent of clostridium botulinum type C progenitor toxin, complex with N-acetylneuramic acid
2ZOE · Hemagglutinin components HA3: “HA3 subcomponent of clostridium botulinum type C progenitor toxin, complex with N-acetylneuramic acid”. X-ray diffraction, 1 ligand (SLB), 5 pockets (best druggability 0.74). MolNFT v1 #56717 on…
- PDB
- 2ZOE
- Type
- protein
- Length
- 588 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin components HA3
- UniProt
- P46085
- Ligands
- SLB
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin components HA3 | protein | 168 | 11% helix, 49% strand | P46085 |
| B | Hemagglutinin components HA3 | protein | 420 | 6% helix, 47% strand | P46085 |
Ligands and binding sites
- SLB · N-acetyl-beta-neuraminic acid · sugar · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 117 | 0.74 | 0.94 | 28 | empty |
| 2 | 203 | 0.56 | 0.79 | 39 | empty |
| 3 | 175 | 0.51 | 0.79 | 25 | empty |
| 4 | 83 | 0.44 | 0.80 | 19 | empty |
| 5 | 62 | 0.36 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2224 Ų buried · 57 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 2ZOE · HA3 subcomponent of Clostridium botulinum type C progenitor toxin, complex with… · 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 2ZOE · PDBe 2ZOE · UniProt P46085
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