MolNFT v1 · #13962 · protein
Heat-labile enterotoxin (lt-I) complex with T-antigen
1LTI · Heat labile enterotoxin type I: “Heat-labile enterotoxin (lt-I) complex with T-antigen”. X-ray diffraction, 2 ligands (GAL, A2G), 9 pockets (best druggability 0.80). MolNFT v1 #13962 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1LTI
- Type
- protein
- Length
- 741 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat labile enterotoxin type I
- UniProt
- P32890, P06717
- Ligands
- GAL, A2G
- Pockets
- 9 · 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 type I | protein | 103 | 24% helix, 37% strand | P32890 |
| A | Heat labile enterotoxin type I | protein | 185 | 31% helix, 22% strand | P06717 |
| C | Heat labile enterotoxin type I | protein | 41 | 76% helix, 0% strand | P06717 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains G, D, E, H
- A2G · 2-acetamido-2-deoxy-alpha-D-galactopyranose · sugar · chains G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 1055 | 0.80 | 0.82 | 98 | empty |
| 2 | 266 | 0.75 | 0.88 | 39 | empty |
| 3 | 52 | 0.65 | 0.95 | 14 | empty |
| 4 | 116 | 0.49 | 0.80 | 21 | empty |
| 5 | 77 | 0.44 | 0.81 | 17 | empty |
Interfaces
16 interfaces between chains.
- D–E · 1402 Ų buried · 30 hydrogen bonds · protein-protein
- G–H · 1392 Ų buried · 28 hydrogen bonds · protein-protein
- E–F · 1348 Ų buried · 22 hydrogen bonds · protein-protein
- F–G · 1326 Ų buried · 26 hydrogen bonds · protein-protein
- D–H · 1303 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1LTI · Heat-labile enterotoxin (lt-I) complex with T-antigen · 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 G 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 1LTI · PDBe 1LTI · UniProt P32890 · UniProt P06717
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