Research workbench
TAURINE/ALPHA-ketoglutarate dioxygenase from escherichia COLI
Analyse TAURINE/ALPHA-ketoglutarate dioxygenase from escherichia COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1GY9
- Type
- protein
- Length
- 554 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-ketoglutarate-dependent taurine dioxygenase
- EC
- 1.14.11.17
- UniProt
- P37610
- Ligands
- TAU, AKG, FE
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-ketoglutarate-dependent taurine dioxygenase (EC 1.14.11.17) | protein | 279 | 26% helix, 28% strand | P37610 |
| B | Alpha-ketoglutarate-dependent taurine dioxygenase (EC 1.14.11.17) | protein | 275 | 25% helix, 28% strand | P37610 |
Ligands and binding sites
- TAU · 2-aminoethanesulfonic acid · ligand · 2 copies · chains A, B
- AKG · 2-oxoglutaric acid · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 301 | 0.76 | 0.88 | 45 | empty |
| 2 | 73 | 0.74 | 0.98 | 22 | FE, AKG |
| 3 | 63 | 0.72 | 0.98 | 21 | AKG |
| 4 | 50 | 0.47 | 0.86 | 16 | empty |
| 5 | 60 | 0.46 | 0.84 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 308 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1GY9 · Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
- P37610 · AlphaFold monomer V2.0 prediction for alpha-ketoglutarate-dependent taurine dioxygenase… · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P37610
- Elsewhere: RCSB PDB 1GY9 · PDBe 1GY9 · UniProt P37610
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