› 4pol

X-ray diffraction
2.8Å resolution

Crystal structures of thioredoxin with mesna at 2.8A resolution

Released:
DOI: 10.2210/pdb4pol/pdb
PDB entry 4pol coloured by chain, front view.
PDB entry 4pol coloured by chain, side view.
PDB entry 4pol coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
BNP7787 Forms Novel Covalent Adducts on Human Thioredoxin and Modulates Thioredoxin Activity
Parker AR, Nienaber VL, Petluru PN, Sridhar V, Leverett BD, Ayala PY, Zhao M, Chie-Leon B, Jair K, Kochat H, Badger J, Hausheer FH
J Pharmacol Clin Toxicol 2 1026- (2014)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-145348 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioredoxin Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 109 amino acids
Theoretical weight: 12.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10599 (Residues: 1-105; Coverage: 100%)
Gene names: TRDX, TRX, TRX1, TXN
Sequence domains: Thioredoxin
Structure domains: Glutaredoxin

Ligands and Environments

1 bound ligand:
Ligand COM 4 x COM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: C2
Unit cell:
a: 85.478Å b: 57.923Å c: 94.902Å
α: 90° β: 90.34° γ: 90°
R-values:
R R work R free
0.248 0.245 0.312
Expression system: Escherichia coli

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