Research workbench
SHIGA TOXIN
Analyse SHIGA TOXIN in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1R4Q
- Type
- protein
- Length
- 1,243 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sht cytotoxin a subunit; Shigella toxin chain B
- EC
- 3.2.2.22
- UniProt
- Q7BQ99, Q7BQ98
- Pockets
- 13 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sht cytotoxin a subunit (EC 3.2.2.22) | protein | 276 | 35% helix, 24% strand | Q7BQ99 |
| L | Sht cytotoxin a subunit (EC 3.2.2.22) | protein | 277 | 34% helix, 24% strand | Q7BQ99 |
| B, C, D, E, F, G, H, I, J, K | Shigella toxin chain B | protein | 69 | 19% helix, 42% strand | Q7BQ98 |
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1142 | 0.86 | 0.87 | 82 | empty |
| 2 | 778 | 0.72 | 0.78 | 63 | empty |
| 3 | 607 | 0.68 | 0.77 | 66 | empty |
| 4 | 146 | 0.42 | 0.75 | 20 | empty |
| 5 | 117 | 0.38 | 0.74 | 21 | empty |
Interfaces
36 interfaces between chains.
- H–I · 688 Ų buried · 11 hydrogen bonds · protein-protein
- G–K · 678 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 668 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 664 Ų buried · 12 hydrogen bonds · protein-protein
- I–J · 663 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 1R4Q · Shiga toxin · the same entry in another collection · chain B against B, 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 Q7BQ99
- Every structure of UniProt Q7BQ98
- Elsewhere: RCSB PDB 1R4Q · PDBe 1R4Q · UniProt Q7BQ99 · UniProt Q7BQ98
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.