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TOXIN

Analyse TOXIN in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1FGB
Type
protein
Length
515 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cholera toxin B subunit pentamer
UniProt
P01556
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
D, E, F, G, HCholera toxin B subunit pentamerprotein10322% helix, 36% strandP01556

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18690.730.7753empty
2500.410.8317empty
3540.370.8016empty
4500.360.8012empty

Interfaces

5 interfaces between chains.

  • E–F · 1322 Ų buried · 27 hydrogen bonds · protein-protein
  • D–H · 1311 Ų buried · 23 hydrogen bonds · protein-protein
  • D–E · 1258 Ų buried · 24 hydrogen bonds · protein-protein
  • G–H · 1256 Ų buried · 29 hydrogen bonds · protein-protein
  • F–G · 1236 Ų buried · 27 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 1FGB · TOXIN · the same entry in another collection · chain H against H, TM-score 1.00
  • P01556 · AlphaFold monomer V2.0 prediction for cholera enterotoxin subunit B (P01556) · a predicted model of the same protein · chain E against A, TM-score 0.99

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