Research workbench
Crystal structure of the B subunit of human heat-labile enterotoxin from E. COLI carrying a peptide with anti-HSV activity
Analyse Crystal structure of the B subunit of human heat-labile enterotoxin from E.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1LTR
- Type
- protein
- Length
- 532 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat-labile enterotoxin
- UniProt
- P13811
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 21% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | Heat-labile enterotoxin | protein | 108 | 21% helix, 36% strand | P13811 |
| E, G, H | Heat-labile enterotoxin | protein | 105 | 21% helix, 37% strand | P13811 |
| F | Heat-labile enterotoxin | protein | 109 | 20% helix, 36% strand | P13811 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1187 | 0.74 | 0.77 | 46 | empty |
| 2 | 64 | 0.39 | 0.80 | 24 | empty |
| 3 | 57 | 0.37 | 0.79 | 17 | empty |
| 4 | 65 | 0.32 | 0.75 | 15 | empty |
| 5 | 50 | 0.29 | 0.76 | 15 | empty |
Interfaces
5 interfaces between chains.
- D–E · 1557 Ų buried · 32 hydrogen bonds · protein-protein
- F–G · 1469 Ų buried · 25 hydrogen bonds · protein-protein
- G–H · 1465 Ų buried · 32 hydrogen bonds · protein-protein
- D–H · 1457 Ų buried · 29 hydrogen bonds · protein-protein
- E–F · 1437 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1LTR · Crystal structure of the B subunit of human heat-labile enterotoxin from E. COLI carrying… · the same entry in another collection · chain D against D, TM-score 1.00
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 P13811
- Elsewhere: RCSB PDB 1LTR · PDBe 1LTR · UniProt P13811
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