MolNFT v1 · #8106 · protein
TAURINE/ALPHA-ketoglutarate dioxygenase from escherichia COLI
1GQW · Alpha-ketoglutarate-dependent taurine dioxygenase: “TAURINE/ALPHA-ketoglutarate dioxygenase from escherichia COLI”. X-ray diffraction, 3 ligands (TAU, AKG, FE2), 6 pockets (best druggability 0.72). MolNFT v1 #8106 on GenesisL1: 3D…
- PDB
- 1GQW
- Type
- protein
- Length
- 550 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, FE2
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-ketoglutarate-dependent taurine dioxygenase (EC 1.14.11.17) | protein | 277 | 26% helix, 29% strand | P37610 |
| B | Alpha-ketoglutarate-dependent taurine dioxygenase (EC 1.14.11.17) | protein | 273 | 23% helix, 29% 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
- FE2 · Fe (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.72 | 0.86 | 35 | empty |
| 2 | 161 | 0.65 | 0.86 | 31 | FE2, AKG |
| 3 | 140 | 0.65 | 0.87 | 32 | AKG |
| 4 | 57 | 0.52 | 0.87 | 17 | empty |
| 5 | 62 | 0.51 | 0.86 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 313 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1GQW · 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 1GQW · PDBe 1GQW · UniProt P37610
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