MolNFT v1 · #48918 · protein
Crystal structure of deinococcus radiodurans thioredoxin reductase
2Q7V: “Crystal structure of deinococcus radiodurans thioredoxin reductase”. X-ray diffraction, 1 ligand (FAD), 5 pockets (best druggability 0.80). MolNFT v1 #48918 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2Q7V
- Type
- protein
- Length
- 622 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin reductase
- EC
- 1.8.1.9
- UniProt
- Q9RSY7
- Ligands
- FAD
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin reductase (EC 1.8.1.9) | protein | 313 | 26% helix, 30% strand | Q9RSY7 |
| B | Thioredoxin reductase (EC 1.8.1.9) | protein | 309 | 27% helix, 30% strand | Q9RSY7 |
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
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1029 | 0.80 | 0.82 | 123 | FAD |
| 2 | 758 | 0.80 | 0.84 | 92 | FAD |
| 3 | 151 | 0.56 | 0.82 | 21 | empty |
| 4 | 111 | 0.49 | 0.81 | 24 | empty |
| 5 | 61 | 0.35 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2460 Ų buried · 47 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2Q7V · Crystal Structure of Deinococcus Radiodurans Thioredoxin Reductase · 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 Q9RSY7
- Elsewhere: RCSB PDB 2Q7V · PDBe 2Q7V · UniProt Q9RSY7
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