4cbq

X-ray diffraction
1.94Å resolution

Crystal structure of the thioredoxin reductase from Entamoeba histolytica with auranofin Au(I) bound to Cys286

Released:
Source organism: Entamoeba histolytica
Entry authors: Parsonage D, Kells PM, Hirata K, Debnath A, Poole LB, McKerrow JH, Reed SL, Podust LM

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)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioredoxin reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 314 amino acids
Theoretical weight: 33.78 KDa
Source organism: Entamoeba histolytica
Expression system: Escherichia coli B
UniProt:
  • Canonical: C4LW95 (Residues: 1-314; Coverage: 100%)
Gene name: EHI_155440
Sequence domains: Pyridine nucleotide-disulphide oxidoreductase
Structure domains: FAD/NAD(P)-binding domain

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD

Cofactor: Ligand NDP 2 x NDP
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 65.622Å b: 91.625Å c: 103.682Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.168 0.218
Expression system: Escherichia coli B