› 1nw2

X-ray diffraction
1.9Å resolution

The crystal structure of the mutant R82E of Thioredoxin from Alicyclobacillus acidocaldarius

Released:
DOI: 10.2210/pdb1nw2/pdb
PDB entry 1nw2 coloured by chain, front view.
PDB entry 1nw2 coloured by chain, side view.
PDB entry 1nw2 coloured by chain, top view.
Source organism: Alicyclobacillus acidocaldarius
Primary publication:
An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius.
Bartolucci S, De Simone G, Galdiero S, Improta R, Menchise V, Pedone C, Pedone E, Saviano M
J Bacteriol 185 4285-9 (2003)
PMID: 12837806

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo tetramer (preferred)
homo octamer
Assembly name:
PDBe Complex ID:
PDB-CPX-160431 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioredoxin Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 105 amino acids
Theoretical weight: 11.56 KDa
Source organism: Alicyclobacillus acidocaldarius
Expression system: Escherichia coli
UniProt:
  • Canonical: P80579 (Residues: 1-105; Coverage: 100%)
Gene name: trxA
Sequence domains: Thioredoxin
Structure domains: Glutaredoxin

Ligands and Environments

3 bound ligands:
Ligand ZN 9 x ZN
Ligand ACT 9 x ACT
Ligand CAC 2 x CAC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P21
Unit cell:
a: 79.61Å b: 60.21Å c: 82.95Å
α: 90° β: 93.3° γ: 90°
R-values:
R R work R free
0.228 0.212 0.255
Expression system: Escherichia coli

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Citations

4 citation in other articles

On the origin of life in the zinc world. 2. Validation of the hypothesis on the photosynthesizing zinc sulfide edifices as cradles of life on Earth.
Mulkidjanian et al. (2009)
3 more

3 mentions without citation

In silico identification of epitopes in Mycobacterium avium subsp. paratuberculosis proteins that were upregulated under stress conditions.
Gurung et al. (2012)
2 more