› 2zzb

X-ray diffraction
3.2Å resolution

Crystal structure of human thioredoxin reductase I and terpyridine platinum(II)

Released:
DOI: 10.2210/pdb2zzb/pdb
PDB entry 2zzb coloured by chain, front view.
PDB entry 2zzb coloured by chain, side view.
PDB entry 2zzb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Terpyridine-platinum(II) complexes are effective inhibitors of mammalian topoisomerases and human thioredoxin reductase 1.
Lo YC, Ko TP, Su WC, Su TL, Wang AH
J Inorg Biochem 103 1082-92 (2009)
PMID: 19525010

Function and Biology Details

Reactions catalysed: 
NADPH + H(2)O(2) = NADP(+) + 2 H(2)O
Thioredoxin + NADP(+) = thioredoxin disulfide + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172612 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioredoxin reductase 1, cytoplasmic Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 513 amino acids
Theoretical weight: 56.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16881 (Residues: 150-649; Coverage: 77%)
Gene names: GRIM12, KDRF, TXNRD1
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 4 x FAD
2 bound ligands:
Ligand SO4 4 x SO4
Ligand TPT 2 x TPT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: C2221
Unit cell:
a: 120.947Å b: 135.165Å c: 346.037Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.245 0.242 0.305
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Anticancer activity of metal complexes: involvement of redox processes.
Jungwirth et al. (2011)
5 more

4 mentions without citation

Thioredoxin reductase and its inhibitors.
Saccoccia et al. (2014)
3 more