MolNFT v1 · #1513 · protein
Crystal structure of the B subunit of heat-labile enterotoxin from E. COLI carrying a peptide with anti-HSV activity
1B44 · Protein (B-pol subunit of heat-labile enterotoxin): “Crystal structure of the B subunit of heat-labile enterotoxin from E. COLI carrying a peptide with anti-HSV…”. X-ray diffraction, 6 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 1B44
- Type
- protein
- Length
- 531 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (B-pol subunit of heat-labile enterotoxin)
- UniProt
- P13811
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D, F, G, H | Protein (B-pol subunit of heat-labile enterotoxin) | protein | 106 | 21% helix, 39% strand | P13811 |
| E | Protein (B-pol subunit of heat-labile enterotoxin) | protein | 107 | 22% helix, 37% strand | P13811 |
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 | 1179 | 0.73 | 0.76 | 46 | empty |
| 2 | 59 | 0.46 | 0.84 | 19 | empty |
| 3 | 69 | 0.44 | 0.82 | 21 | empty |
| 4 | 73 | 0.40 | 0.79 | 22 | empty |
| 5 | 74 | 0.39 | 0.79 | 16 | empty |
Interfaces
5 interfaces between chains.
- E–F · 1467 Ų buried · 29 hydrogen bonds · protein-protein
- D–E · 1424 Ų buried · 30 hydrogen bonds · protein-protein
- G–H · 1409 Ų buried · 28 hydrogen bonds · protein-protein
- F–G · 1399 Ų buried · 27 hydrogen bonds · protein-protein
- D–H · 1390 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1B44 · Crystal structure of the B subunit of heat-labile enterotoxin from E. COLI carrying a… · 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 1B44 · PDBe 1B44 · UniProt P13811
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