Research workbench
Structure of the C. botulinum neurotoxin serotype a with cu bound
Analyse Structure of the C. botulinum neurotoxin serotype a with cu bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5VGV
- Type
- protein
- Length
- 421 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Botulinum neurotoxin type a
- EC
- 3.4.24.69
- UniProt
- P10845
- Ligands
- CU
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Botulinum neurotoxin type a (EC 3.4.24.69) | protein | 421 | 33% helix, 17% strand | P10845 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 610 | 0.71 | 0.79 | 52 | CU, ACT |
| 2 | 50 | 0.41 | 0.83 | 14 | empty |
| 3 | 106 | 0.40 | 0.76 | 20 | empty |
| 4 | 85 | 0.35 | 0.75 | 17 | empty |
| 5 | 66 | 0.30 | 0.74 | 14 | empty |
Compared structures
- 5VGV · Structure of the C. botulinum neurotoxin serotype A with Cu 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 P10845
- Elsewhere: RCSB PDB 5VGV · PDBe 5VGV · UniProt P10845
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