› 2a87

X-ray diffraction
3Å resolution

Crystal Structure of M. tuberculosis Thioredoxin reductase

Released:
DOI: 10.2210/pdb2a87/pdb
PDB entry 2a87 coloured by chain, front view.
PDB entry 2a87 coloured by chain, side view.
PDB entry 2a87 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Conformational flexibility of Mycobacterium tuberculosis thioredoxin reductase: crystal structure and normal-mode analysis.
Akif M, Suhre K, Verma C, Mande SC
Acta Crystallogr D Biol Crystallogr 61 1603-11 (2005)
PMID: 16301794

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161551 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioredoxin reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 335 amino acids
Theoretical weight: 35.68 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WHH1 (Residues: 1-335; Coverage: 100%)
Gene names: MTV028.04, Rv3913, trxB, trxB2, trxR
Sequence domains: Pyridine nucleotide-disulphide oxidoreductase
Structure domains: FAD/NAD(P)-binding domain

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P41212
Unit cell:
a: 107.4Å b: 107.4Å c: 118.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.211 0.291
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

The thioredoxin antioxidant system.
Lu et al. (2014)
1 more

13 mentions without citation

Predictive Power of In Silico Approach to Evaluate Chemicals against M. tuberculosis: A Systematic Review.
Timo et al. (2019)
12 more