MolNFT v1 · #22857 · protein
Escherichia COLI heat labile enterotoxin type iib
1TII: “Escherichia COLI heat labile enterotoxin type iib”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #22857 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TII
- Type
- protein
- Length
- 712 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat labile enterotoxin type iib
- UniProt
- P43529, P43528
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, E, F, G, H | Heat labile enterotoxin type iib | protein | 98 | 26% helix, 39% strand | P43529 |
| A | Heat labile enterotoxin type iib | protein | 186 | 31% helix, 22% strand | P43528 |
| C | Heat labile enterotoxin type iib | protein | 36 | 89% helix, 0% strand | P43528 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 811 | 0.71 | 0.77 | 63 | empty |
| 2 | 644 | 0.70 | 0.78 | 55 | empty |
| 3 | 139 | 0.44 | 0.76 | 30 | empty |
| 4 | 72 | 0.33 | 0.74 | 13 | empty |
| 5 | 51 | 0.28 | 0.75 | 9 | empty |
Interfaces
14 interfaces between chains.
- E–F · 1210 Ų buried · 15 hydrogen bonds · protein-protein
- G–H · 1205 Ų buried · 12 hydrogen bonds · protein-protein
- D–E · 1202 Ų buried · 13 hydrogen bonds · protein-protein
- D–H · 1198 Ų buried · 15 hydrogen bonds · protein-protein
- F–G · 1153 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1TII · Escherichia COLI heat labile enterotoxin type iib · the same entry in another collection · chain C against C, TM-score 1.00
- P43528 · AlphaFold monomer V2.0 prediction for heat-labile enterotoxin iib, a chain (P43528) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P43529 · AlphaFold monomer V2.0 prediction for heat-labile enterotoxin iib, B chain (P43529) · a predicted model of the same protein · chain H 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 P43529
- Every structure of UniProt P43528
- Elsewhere: RCSB PDB 1TII · PDBe 1TII · UniProt P43529 · UniProt P43528
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