› 3o6t

X-ray diffraction
2.4Å resolution

Mycobacterium tuberculosis thioredoxin C C40S mutant in Complex with Quinol Inhibitor PMX464

Released:
DOI: 10.2210/pdb3o6t/pdb
PDB entry 3o6t coloured by chain, front view.
PDB entry 3o6t coloured by chain, side view.
PDB entry 3o6t coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464.
Hall G, Bradshaw TD, Laughton CA, Stevens MF, Emsley J
Protein Sci 20 210-5 (2011)
PMID: 20981751

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161464 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioredoxin Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 118 amino acids
Theoretical weight: 12.69 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P9WG67 (Residues: 1-116; Coverage: 100%)
Gene names: MTV028.05, Rv3914, trx, trxA, trxC
Sequence domains: Thioredoxin
Structure domains: Glutaredoxin

Ligands and Environments

2 bound ligands:
Ligand PX5 2 x PX5
Ligand PGE 2 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: C2
Unit cell:
a: 110.221Å b: 75.095Å c: 65.244Å
α: 90° β: 107.31° γ: 90°
R-values:
R R work R free
0.236 0.199 0.26
Expression system: Escherichia coli BL21

Quick links

Citations

1 review citation

Regulation of Three Virulence Strategies of Mycobacterium tuberculosis: A Success Story.
Zondervan et al. (2018)
3 other articles

2 mentions without citation

Rv2969c, essential for optimal growth in Mycobacterium tuberculosis, is a DsbA-like enzyme that interacts with VKOR-derived peptides and has atypical features of DsbA-like disulfide oxidases.
Premkumar et al. (2013)
1 more