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Crystal structure of an engineered botulinum neurotoxin type B-derivative, lc-B-gs-hn-B
Analyse Crystal structure of an engineered botulinum neurotoxin type B-derivative… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZUQ
- Type
- protein
- Length
- 850 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Botulinum neurotoxin type B
- EC
- 3.4.24.69
- UniProt
- P10844
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Botulinum neurotoxin type B (EC 3.4.24.69) | protein | 850 | 42% helix, 14% strand | P10844 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 795 | 0.78 | 0.82 | 59 | ZN |
| 2 | 515 | 0.73 | 0.82 | 76 | empty |
| 3 | 527 | 0.66 | 0.77 | 55 | empty |
| 4 | 143 | 0.50 | 0.79 | 29 | empty |
| 5 | 63 | 0.46 | 0.83 | 18 | empty |
Compared structures
- 3ZUQ · Crystal structure of an engineered botulinum neurotoxin type B - derivative, LC-B-GS-Hn-B · the same entry in another collection · chain A against A, TM-score 1.00
- P10844 · AlphaFold monomer V2.0 prediction for botulinum neurotoxin type B (P10844) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P10844
- Elsewhere: RCSB PDB 3ZUQ · PDBe 3ZUQ · UniProt P10844
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