MolNFT v1 · #61266 · protein
Crystal structure of drosophila thioredoxin reductase, C-terminal 8- residue truncation
3DGH · Thioredoxin reductase 1, mitochondrial: “Crystal structure of drosophila thioredoxin reductase, C-terminal 8- residue truncation”. X-ray diffraction, 2 ligands (FAD, SO4), 10 pockets (best druggability 0.86). MolNFT v1 #61266 on…
- PDB
- 3DGH
- Type
- protein
- Length
- 950 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin reductase 1, mitochondrial
- EC
- 1.8.1.9
- UniProt
- P91938
- Ligands
- FAD, SO4
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin reductase 1, mitochondrial (EC 1.8.1.9) | protein | 477 | 33% helix, 26% strand | P91938 |
| B | Thioredoxin reductase 1, mitochondrial (EC 1.8.1.9) | protein | 473 | 34% helix, 26% strand | P91938 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 581 | 0.86 | 0.91 | 57 | empty |
| 2 | 964 | 0.81 | 0.83 | 108 | FAD |
| 3 | 931 | 0.81 | 0.83 | 107 | FAD |
| 4 | 688 | 0.71 | 0.78 | 56 | SO4 |
| 5 | 766 | 0.71 | 0.77 | 59 | SO4 |
Interfaces
1 interface between chains.
- A–B · 3318 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3DGH · Crystal Structure of Drosophila Thioredoxin Reductase, C-terminal 8-residue truncation · 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 B 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 3DGH · PDBe 3DGH · UniProt P91938
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.