Research workbench
Structure of the C. botulinum neurotoxin serotype a with ZN2+ cofactor bound
Analyse Structure of the C. botulinum neurotoxin serotype a with ZN2+ cofactor bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BON
- Type
- protein
- Length
- 416 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neurotoxin a
- UniProt
- A2I2U2
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neurotoxin a | protein | 416 | 32% helix, 18% strand | A2I2U2 |
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
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 467 | 0.67 | 0.78 | 40 | empty |
| 2 | 66 | 0.40 | 0.80 | 12 | empty |
| 3 | 63 | 0.30 | 0.74 | 13 | empty |
| 4 | 62 | 0.29 | 0.74 | 15 | empty |
Compared structures
- 3BON · Structure of the C. botulinum neurotoxin serotype A with Zn2+ cofactor bound · 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 A2I2U2
- Elsewhere: RCSB PDB 3BON · PDBe 3BON · UniProt A2I2U2
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