MolNFT v1 · #13956 · protein
2.2 ångströms crystal structure of E. COLI heat-labile enterotoxin (lt) with bound galactose
1LTA · Heat-labile enterotoxin, subunit B: “2.2 ångströms crystal structure of E. COLI heat-labile enterotoxin (lt) with bound galactose”. X-ray diffraction, 1 ligand (GAL), 8 pockets (best druggability 0.79). MolNFT v1 #13956 on…
- PDB
- 1LTA
- Type
- protein
- Length
- 748 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
- GAL
- Pockets
- 8 · best druggability 0.79
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 | 25% helix, 36% strand | P32890 |
| A | Heat-labile enterotoxin, subunit a | protein | 188 | 30% helix, 22% strand | P06717 |
| C | Heat-labile enterotoxin, subunit a | protein | 45 | 78% helix, 0% strand | P06717 |
Ligands and binding sites
- 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
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 967 | 0.79 | 0.81 | 89 | empty |
| 2 | 243 | 0.74 | 0.89 | 27 | empty |
| 3 | 91 | 0.49 | 0.82 | 21 | empty |
| 4 | 79 | 0.43 | 0.80 | 18 | empty |
| 5 | 58 | 0.43 | 0.82 | 18 | empty |
Interfaces
16 interfaces between chains.
- D–E · 1409 Ų buried · 29 hydrogen bonds · protein-protein
- G–H · 1388 Ų buried · 25 hydrogen bonds · protein-protein
- F–G · 1375 Ų buried · 28 hydrogen bonds · protein-protein
- E–F · 1356 Ų buried · 28 hydrogen bonds · protein-protein
- D–H · 1312 Ų buried · 29 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1LTA · 2.2 ångströms crystal structure of E. COLI heat-labile enterotoxin (lt) with bound… · the same entry in another collection · chain G against G, TM-score 1.00
- 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 0.99
- 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
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 1LTA · PDBe 1LTA · UniProt P32890 · UniProt P06717
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