Research workbench
Surprising leads for a cholera toxin receptor binding antagonist; crystallographic studies of ctb mutants
Analyse Surprising leads for a cholera toxin receptor binding antagonist… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CHQ
- Type
- protein
- Length
- 515 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cholera toxin B pentamer
- UniProt
- P01556
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, E, F, G, H | Cholera toxin B pentamer | protein | 103 | 25% helix, 39% strand | P01556 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 819 | 0.71 | 0.76 | 42 | empty |
Interfaces
5 interfaces between chains.
- E–F · 1292 Ų buried · 20 hydrogen bonds · protein-protein
- D–H · 1263 Ų buried · 21 hydrogen bonds · protein-protein
- F–G · 1256 Ų buried · 23 hydrogen bonds · protein-protein
- D–E · 1187 Ų buried · 21 hydrogen bonds · protein-protein
- G–H · 1166 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1CHQ · Surprising leads for a cholera toxin receptor binding antagonist; crystallographic… · the same entry in another collection · chain D against D, 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 0.97
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 P01556
- Elsewhere: RCSB PDB 1CHQ · PDBe 1CHQ · UniProt P01556
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