MolNFT v1 · #61291 · protein
Crystal structure of drosophila thioredoxin reductase, wild-type
3DH9 · Thioredoxin reductase 1: “Crystal structure of drosophila thioredoxin reductase, wild-type”. X-ray diffraction, 1 ligand (FAD), 7 pockets (best druggability 0.84). MolNFT v1 #61291 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3DH9
- Type
- protein
- Length
- 964 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin reductase 1
- EC
- 1.8.1.9
- UniProt
- P91938
- Ligands
- FAD
- Pockets
- 7 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Thioredoxin reductase 1 (EC 1.8.1.9) | protein | 482 | 34% helix, 26% strand | P91938 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 663 | 0.84 | 0.88 | 68 | empty |
| 2 | 1053 | 0.81 | 0.82 | 107 | FAD |
| 3 | 1058 | 0.80 | 0.82 | 110 | FAD |
| 4 | 867 | 0.76 | 0.79 | 56 | empty |
| 5 | 861 | 0.74 | 0.78 | 58 | empty |
Interfaces
1 interface between chains.
- A–B · 3264 Ų buried · 33 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3DH9 · Crystal Structure of Drosophila Thioredoxin Reductase, wild-type · the same entry in another collection · chain A against A, TM-score 1.00
- P91938 · AlphaFold monomer V2.0 prediction for thioredoxin reductase 1, mitochondrial (P91938) · a predicted model of the same protein · chain A against A, 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 P91938
- Elsewhere: RCSB PDB 3DH9 · PDBe 3DH9 · UniProt P91938
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