› 8w1w

X-ray diffraction
2.03Å resolution

2.03 angstrom resolution crystal structure of as-isolated KatG from Mycobacterium tuberculosis with an MYW-OOH cofactor

Released:
DOI: 10.2210/pdb8w1w/pdb
PDB entry 8w1w coloured by chain, front view.
PDB entry 8w1w coloured by chain, side view.
PDB entry 8w1w coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Indole-N-Linked Hydroperoxyl Adduct of Protein-Derived Cofactor Modulating Catalase-Peroxidase Functions.
Li J, Duan R, Traore ES, Nguyen RC, Davis I, Griffth WP, Goodwin DC, Jarzecki AA, Liu A
Angew Chem Int Ed Engl e202407018 (2024)
PMID: 39300819

Function and Biology Details

Reaction catalysed: 
2 H(2)O(2) = O(2) + 2 H(2)O
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 741 amino acids
Theoretical weight: 80.78 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WIE5 (Residues: 2-740; Coverage: 100%)
Gene names: MTCY180.10, Rv1908c, katG
Sequence domains: Peroxidase

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
3 bound ligands:
Ligand NA 4 x NA
Ligand GOL 10 x GOL
Ligand ACT 4 x ACT
1 modified residue:
Ligand TOX 4 x TOX

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P43212
Unit cell:
a: 150.674Å b: 150.674Å c: 311.112Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.166 0.223
Expression system: Escherichia coli

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