› 6oo1

X-ray diffraction
1.6Å resolution

Dehaloperoxidase B in complex with substrate o-cresol

Released:
DOI: 10.2210/pdb6oo1/pdb
PDB entry 6oo1 coloured by chain, front view.
PDB entry 6oo1 coloured by chain, side view.
PDB entry 6oo1 coloured by chain, top view.
Source organism: Amphitrite ornata
Primary publication:
The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Malewschik T, de Serrano V, McGuire AH, Ghiladi RA
Arch Biochem Biophys 673 108079 (2019)
PMID: 31445024

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192410 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Globin domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 137 amino acids
Theoretical weight: 15.41 KDa
Source organism: Amphitrite ornata
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NAV7 (Residues: 2-138; Coverage: 99%)
Sequence domains: Globin

Ligands and Environments

4 bound ligands:
Ligand HEM 2 x HEM
Ligand EDO 11 x EDO
Ligand JZ0 2 x JZ0
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P212121
Unit cell:
a: 59.273Å b: 67.69Å c: 67.68Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.171 0.199
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Carbon-fluorine bond cleavage mediated by metalloenzymes.
Wang et al. (2020)
2 other articles

1 mention without citation

The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Malewschik et al. (2019)