MolNFT v1 · #27761 · protein
Cholera toxin
1XTC: “Cholera toxin”. X-ray diffraction, 9 pockets (best druggability 0.75). MolNFT v1 #27761 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1XTC
- Type
- protein
- Length
- 752 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cholera toxin
- UniProt
- P01555, P01556
- Pockets
- 9 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cholera toxin | protein | 192 | 22% helix, 21% strand | P01555 |
| C | Cholera toxin | protein | 45 | 91% helix, 0% strand | P01555 |
| D, E, F, G, H | Cholera toxin | protein | 103 | 23% helix, 29% strand | P01556 |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.75 | 0.84 | 46 | empty |
| 2 | 266 | 0.63 | 0.81 | 38 | empty |
| 3 | 56 | 0.60 | 0.92 | 14 | empty |
| 4 | 156 | 0.49 | 0.77 | 20 | empty |
| 5 | 141 | 0.45 | 0.76 | 23 | empty |
Interfaces
16 interfaces between chains.
- D–E · 1398 Ų buried · 33 hydrogen bonds · protein-protein
- G–H · 1342 Ų buried · 27 hydrogen bonds · protein-protein
- F–G · 1316 Ų buried · 27 hydrogen bonds · protein-protein
- E–F · 1278 Ų buried · 21 hydrogen bonds · protein-protein
- D–H · 1270 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1XTC · Cholera 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 D against A, TM-score 0.98
- P01555 · AlphaFold monomer V2.0 prediction for cholera enterotoxin subunit a (P01555) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P01555
- Every structure of UniProt P01556
- Elsewhere: RCSB PDB 1XTC · PDBe 1XTC · UniProt P01555 · UniProt P01556
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