Research workbench
Crystal structure of an engineered botulinum neurotoxin type a- SNARE23 derivative, LC0-a-SNAP25-hn-a
Analyse Crystal structure of an engineered botulinum neurotoxin type a- SNARE23… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZUR
- Type
- protein
- Length
- 1,690 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Botulinum neurotoxin type a, synaptosomal-associated protein
- EC
- 3.4.24.69
- UniProt
- P10845, P60880
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Botulinum neurotoxin type a, synaptosomal-associated protein (EC 3.4.24.69) | protein | 847 | 41% helix, 14% strand | P10845, P60880 |
| B | Botulinum neurotoxin type a, synaptosomal-associated protein (EC 3.4.24.69) | protein | 843 | 40% helix, 13% strand | P10845, P60880 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 808 | 0.86 | 0.88 | 86 | empty |
| 2 | 1021 | 0.81 | 0.82 | 77 | empty |
| 3 | 1046 | 0.81 | 0.82 | 74 | empty |
| 4 | 659 | 0.79 | 0.84 | 65 | empty |
| 5 | 473 | 0.78 | 0.86 | 58 | empty |
Interfaces
1 interface between chains.
- A–B · 1489 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3ZUR · Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative… · the same entry in another collection · chain A against A, TM-score 1.00
- P60880 · AlphaFold monomer V2.0 prediction for synaptosomal-associated protein 25 (P60880) · a predicted model of the same protein · chain A against A, TM-score 0.13
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 P10845
- Every structure of UniProt P60880
- Elsewhere: RCSB PDB 3ZUR · PDBe 3ZUR · UniProt P10845 · UniProt P60880
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