MolNFT v1 · #9349 · protein
Mutation of a buried residue causes lack of activity but no conformational change: crystal structure of E. COLI heat- labile enterotoxin mutant val 97--> lys
1HTL · Heat-labile enterotoxin, subunit B: “Mutation of a buried residue causes lack of activity but no conformational change: crystal structure of E.…”. X-ray diffraction, 4 pockets (best druggability 0.79). MolNFT v1 #9349 on GenesisL1…
- PDB
- 1HTL
- 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
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, E, F, G, H | Heat-labile enterotoxin, subunit B | protein | 103 | 22% helix, 37% strand | P32890 |
| A | Heat-labile enterotoxin, subunit a | protein | 185 | 29% helix, 22% strand | P06717 |
| C | Heat-labile enterotoxin, subunit a | protein | 41 | 83% helix, 0% strand | P06717 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 388 | 0.79 | 0.89 | 49 | empty |
| 2 | 1025 | 0.79 | 0.80 | 100 | empty |
| 3 | 52 | 0.29 | 0.76 | 15 | empty |
| 4 | 51 | 0.28 | 0.75 | 13 | empty |
Interfaces
16 interfaces between chains.
- F–G · 1392 Ų buried · 21 hydrogen bonds · protein-protein
- D–E · 1384 Ų buried · 26 hydrogen bonds · protein-protein
- D–H · 1375 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1359 Ų buried · 21 hydrogen bonds · protein-protein
- G–H · 1338 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1HTL · Mutation of a buried residue causes lack of activity but no conformational change… · 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 0.98
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 1HTL · PDBe 1HTL · UniProt P32890 · UniProt P06717
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