› 8a1r

Electron Microscopy
3.6Å resolution

cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor

Released:
DOI: 10.2210/pdb8a1r/pdb
PDB entry 8a1r coloured by chain, front view.
PDB entry 8a1r coloured by chain, side view.
PDB entry 8a1r coloured by chain, top view.
Source organism: Schistosoma mansoni
Primary publication:
Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo.
Petukhova VZ, Aboagye SY, Ardini M, Lullo RP, Fata F, Byrne ME, Gabriele F, Martin LM, Harding LNM, Gone V, Dangi B, Lantvit DD, Nikolic D, Ippoliti R, Effantin G, Ling WL, Johnson JJ, Thatcher GRJ, Angelucci F, Williams DL, Petukhov PA
Nat Commun 14 3737 (2023)
PMID: 37349300
Related structures: EMD-15084

Function and Biology Details

Reaction catalysed: 
Thioredoxin + NADP(+) = thioredoxin disulfide + NADPH
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188301 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
thioredoxin-disulfide reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 598 amino acids
Theoretical weight: 65.06 KDa
Source organism: Schistosoma mansoni
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q962Y6 (Residues: 1-598; Coverage: 100%)
Gene name: TGR
Sequence domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD
1 bound ligand:
Ligand KW2 2 x KW2
No modified residues

Experiments and Validation Details

Entry percentile scores
Resolution: 3.6Å
Relevant EMDB volumes: EMD-15084
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

G6PDH as a key immunometabolic and redox trigger in arthropods.
Moraes et al. (2023)
2 other articles

2 mentions without citation

Geodemographic Patterns of Meat Expenditure in Great Britain.
James et al. (2021)
1 more