MolNFT v1 · #81739 · protein
Crystal structure of the FE(II)/ALPHA-ketoglutarate dependent taurine dioxygenase from pseudomonas putida KT2440
3V15 · Alpha-ketoglutarate-dependent taurine dioxygenase: “Crystal structure of the FE(II)/ALPHA-ketoglutarate dependent taurine dioxygenase from pseudomonas putida…”. X-ray diffraction, 8 pockets (best druggability 0.83). MolNFT v1 #81739…
- PDB
- 3V15
- Type
- protein
- Length
- 1,102 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-ketoglutarate-dependent taurine dioxygenase
- EC
- 1.14.11.17
- UniProt
- Q88RA3
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alpha-ketoglutarate-dependent taurine dioxygenase (EC 1.14.11.17) | protein | 275 | 25% helix, 26% strand | Q88RA3 |
| C, D | Alpha-ketoglutarate-dependent taurine dioxygenase (EC 1.14.11.17) | protein | 276 | 29% helix, 25% strand | Q88RA3 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1117 | 0.83 | 0.84 | 99 | empty |
| 2 | 717 | 0.81 | 0.85 | 67 | empty |
| 3 | 418 | 0.79 | 0.87 | 54 | empty |
| 4 | 443 | 0.78 | 0.86 | 54 | empty |
| 5 | 590 | 0.73 | 0.80 | 61 | empty |
Interfaces
6 interfaces between chains.
- A–B · 941 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 914 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 666 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 622 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 237 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3V15 · Crystal structure of the Fe(II)/alpha-ketoglutarate dependent taurine dioxygenase from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q88RA3 · AlphaFold monomer V2.0 prediction for alpha-ketoglutarate-dependent taurine dioxygenase… · a predicted model of the same protein · chain C against A, TM-score 0.98
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 Q88RA3
- Elsewhere: RCSB PDB 3V15 · PDBe 3V15 · UniProt Q88RA3
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