Research workbench
Lactose binding to heat-labile enterotoxin revealed by X-ray crystallography
Analyse Lactose binding to heat-labile enterotoxin revealed by X-ray crystallography in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1LTT
- Type
- protein
- Length
- 741 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat-labile enterotoxin, subunit B; Heat-labile enterotoxin, subunit a
- UniProt
- P32890, P06717
- Ligands
- BGC, GAL
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, E, F, G, H | Heat-labile enterotoxin, subunit B | protein | 103 | 23% helix, 37% strand | P32890 |
| A | Heat-labile enterotoxin, subunit a | protein | 185 | 31% helix, 23% strand | P06717 |
| C | Heat-labile enterotoxin, subunit a | protein | 41 | 80% helix, 0% strand | P06717 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 5 copies · chains D, E, F, G, H
- GAL · beta-D-galactopyranose · sugar · 5 copies · chains D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1016 | 0.80 | 0.82 | 92 | empty |
| 2 | 203 | 0.74 | 0.90 | 28 | empty |
| 3 | 88 | 0.41 | 0.79 | 19 | empty |
| 4 | 63 | 0.38 | 0.79 | 15 | empty |
| 5 | 50 | 0.35 | 0.79 | 12 | empty |
Interfaces
16 interfaces between chains.
- D–E · 1420 Ų buried · 29 hydrogen bonds · protein-protein
- G–H · 1416 Ų buried · 27 hydrogen bonds · protein-protein
- F–G · 1380 Ų buried · 27 hydrogen bonds · protein-protein
- E–F · 1351 Ų buried · 25 hydrogen bonds · protein-protein
- D–H · 1303 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1LTT · Lactose binding to heat-labile enterotoxin revealed by X-ray crystallography · the same entry in another collection · chain C against C, TM-score 1.00
- P06717 · AlphaFold monomer V2.0 prediction for heat-labile enterotoxin a chain (P06717) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P32890 · AlphaFold monomer V2.0 prediction for heat-labile enterotoxin B chain (P32890) · a predicted model of the same protein · chain F 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 P32890
- Every structure of UniProt P06717
- Elsewhere: RCSB PDB 1LTT · PDBe 1LTT · UniProt P32890 · UniProt P06717
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