Research workbench
Dimeric alpha-cobratoxin X-ray structure: localization of intermolecular disulfides and possible mode of binding to nicotinic acetylcholine receptors
Analyse Dimeric alpha-cobratoxin X-ray structure: localization of intermolecular… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AEA
- Type
- protein
- Length
- 134 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Long neurotoxin 1
- UniProt
- P01391
- Ligands
- GLY
- Pockets
- 2 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Long neurotoxin 1 | protein | 67 | 6% helix, 31% strand | P01391 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.43 | 0.75 | 26 | empty |
| 2 | 113 | 0.37 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 211 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4AEA · Dimeric alpha-cobratoxin X-ray structure: Localization of intermolecular disulfides and… · the same entry in another collection · chain A against A, TM-score 1.00
- P01391 · AlphaFold monomer V2.0 prediction for alpha-cobratoxin (P01391) · a predicted model of the same protein · chain B against A, TM-score 0.76
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 P01391
- Elsewhere: RCSB PDB 4AEA · PDBe 4AEA · UniProt P01391
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