› 5sx0

X-ray diffraction
2Å resolution

Crystal structure of an oxoferryl species of catalase-peroxidase KatG at pH7.5

Released:
DOI: 10.2210/pdb5sx0/pdb
PDB entry 5sx0 coloured by chain, front view.
PDB entry 5sx0 coloured by chain, side view.
PDB entry 5sx0 coloured by chain, top view.
Source organism: Burkholderia pseudomallei 1710b
Primary publication:
A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases.
Carpena X, Wiseman B, Deemagarn T, Singh R, Switala J, Ivancich A, Fita I, Loewen PC
EMBO Rep 6 1156-62 (2005)
PMID: 16211084

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174649 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Catalase-peroxidase Chain: A
Molecule details ›
Chain: A
Length: 728 amino acids
Theoretical weight: 79.55 KDa
Source organism: Burkholderia pseudomallei 1710b
Expression system: Escherichia coli
UniProt:
  • Canonical: Q3JNW6 (Residues: 1-728; Coverage: 100%)
Gene names: BURPS1710b_3366, katG
Sequence domains: Peroxidase
Structure domains:
Catalase-peroxidase Chain: B
Molecule details ›
Chain: B
Length: 728 amino acids
Theoretical weight: 79.54 KDa
Source organism: Burkholderia pseudomallei 1710b
Expression system: Escherichia coli
UniProt:
  • Canonical: Q3JNW6 (Residues: 1-728; Coverage: 100%)
Gene names: BURPS1710b_3366, katG
Sequence domains: Peroxidase
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
5 bound ligands:
Ligand NA 2 x NA
Ligand OXY 3 x OXY
Ligand O 2 x O
Ligand MPD 3 x MPD
Ligand TRS 2 x TRS
1 modified residue:
Ligand MHO 1 x MHO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 100.359Å b: 114.886Å c: 174.626Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.159 0.194
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Probing the structure and bifunctionality of catalase-peroxidase (KatG).
Smulevich et al. (2006)
3 more

1 mention without citation

Local Electric Fields as a Natural Switch of Heme-Iron Protein Reactivity.
Bím et al. (2021)