MolNFT v1 · #61281 · protein
Crystal structure of mouse mitochondrial thioredoxin reductase, C- terminal 3-residue truncation
3DGZ · Thioredoxin reductase 2: “Crystal structure of mouse mitochondrial thioredoxin reductase, C- terminal 3-residue truncation”. X-ray diffraction, 2 ligands (FAD, NA7), 4 pockets (best druggability 0.80). MolNFT v1 #61281 on GenesisL1…
- PDB
- 3DGZ
- Type
- protein
- Length
- 482 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin reductase 2
- EC
- 1.8.1.9
- UniProt
- Q9JLT4
- Ligands
- FAD, NA7
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin reductase 2 (EC 1.8.1.9) | protein | 482 | 33% helix, 26% strand | Q9JLT4 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- NA7 · [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 862 | 0.80 | 0.83 | 104 | FAD, NA7 |
| 2 | 314 | 0.63 | 0.79 | 43 | empty |
| 3 | 104 | 0.38 | 0.75 | 19 | empty |
| 4 | 50 | 0.36 | 0.79 | 13 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3DGZ · Crystal Structure of Mouse Mitochondrial Thioredoxin Reductase, C-terminal 3-residue… · the same entry in another collection · 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 Q9JLT4
- Elsewhere: RCSB PDB 3DGZ · PDBe 3DGZ · UniProt Q9JLT4
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