MolNFT v1 · #180393 · protein
Botulism neurooxin light chain a app form
7KY2 · BONT/A1: “Botulism neurooxin light chain a app form”. X-ray diffraction, 1 ligand (ZN), 6 pockets (best druggability 0.63). MolNFT v1 #180393 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KY2
- Type
- protein
- Length
- 786 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BONT/A1
- UniProt
- C6K838
- Ligands
- ZN
- Pockets
- 6 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | BONT/A1 | protein | 393 | 31% helix, 18% strand | C6K838 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.63 | 0.79 | 35 | empty |
| 2 | 362 | 0.60 | 0.77 | 36 | ZN |
| 3 | 120 | 0.38 | 0.74 | 20 | empty |
| 4 | 84 | 0.36 | 0.76 | 18 | empty |
| 5 | 81 | 0.32 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 337 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7KY2 · Botulism Neurooxin Light Chain A app form · 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 C6K838
- Elsewhere: RCSB PDB 7KY2 · PDBe 7KY2 · UniProt C6K838
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