MolNFT v1 · #13960 · protein
The ARG7LYS mutant of heat-labile enterotoxin exhibits great flexibility of active site loop 47-56 of the a subunit
1LTG: “The ARG7LYS mutant of heat-labile enterotoxin exhibits great flexibility of active site loop 47-56 of the a…”. X-ray diffraction, 6 pockets (best druggability 0.79). MolNFT v1 #13960 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1LTG
- Type
- protein
- Length
- 731 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat-labile enterotoxin
- UniProt
- P32890, P06717
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, E, F, G, H | Heat-labile enterotoxin | protein | 103 | 24% helix, 41% strand | P32890 |
| A | Heat-labile enterotoxin | protein | 175 | 31% helix, 25% strand | P06717 |
| C | Heat-labile enterotoxin | protein | 41 | 76% helix, 0% strand | P06717 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.79 | 0.81 | 99 | empty |
| 2 | 320 | 0.75 | 0.87 | 40 | empty |
| 3 | 62 | 0.44 | 0.82 | 18 | empty |
| 4 | 156 | 0.44 | 0.75 | 30 | empty |
| 5 | 57 | 0.35 | 0.78 | 16 | empty |
Interfaces
15 interfaces between chains.
- D–E · 1404 Ų buried · 30 hydrogen bonds · protein-protein
- F–G · 1385 Ų buried · 28 hydrogen bonds · protein-protein
- E–F · 1352 Ų buried · 28 hydrogen bonds · protein-protein
- D–H · 1348 Ų buried · 27 hydrogen bonds · protein-protein
- G–H · 1336 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1LTG · The ARG7LYS mutant of heat-labile enterotoxin exhibits great flexibility of active site… · the same entry in another collection · chain C against C, 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 0.98
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 1LTG · PDBe 1LTG · UniProt P32890 · UniProt P06717
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