› 4c51

X-ray diffraction
3.1Å resolution

Crystal Structure of the Catalase-Peroxidase (KatG) R418L mutant from Mycobacterium Tuberculosis

Released:
DOI: 10.2210/pdb4c51/pdb
PDB entry 4c51 coloured by chain, front view.
PDB entry 4c51 coloured by chain, side view.
PDB entry 4c51 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Access channel residues Ser315 and Asp137 in Mycobacterium tuberculosis catalase-peroxidase (KatG) control peroxidatic activation of the pro-drug isoniazid.
Zhao X, Hersleth HP, Zhu J, Andersson KK, Magliozzo RS
Chem Commun (Camb) 49 11650-2 (2013)
PMID: 24185282

Function and Biology Details

Reaction catalysed: 
2 H(2)O(2) = O(2) + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161625 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Catalase-peroxidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 740 amino acids
Theoretical weight: 80.64 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WIE5 (Residues: 1-740; Coverage: 100%)
Gene names: MTCY180.10, Rv1908c, katG
Sequence domains: Peroxidase
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
1 bound ligand:
Ligand GLC 2 x GLC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P42212
Unit cell:
a: 150.69Å b: 150.69Å c: 157.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.16 0.214
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Update of Antitubercular Prodrugs from a Molecular Perspective: Mechanisms of Action, Bioactivation Pathways, and Associated Resistance.
Laborde et al. (2017)
1 more

3 mentions without citation

Comparative Genome and Network Centrality Analysis to Identify Drug Targets of Mycobacterium tuberculosis H37Rv.
Melak et al. (2015)
2 more