› 6co5

X-ray diffraction
1.69Å resolution

Dehaloperoxidase B in complex with 6-Br-ortho-guaiacol

Released:
DOI: 10.2210/pdb6co5/pdb
PDB entry 6co5 coloured by chain, front view.
PDB entry 6co5 coloured by chain, side view.
PDB entry 6co5 coloured by chain, top view.
Source organism: Amphitrite ornata
Primary publication:
Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
McGuire AH, Carey LM, de Serrano V, Dali S, Ghiladi RA
Biochemistry 57 4455-4468 (2018)
PMID: 29949340

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-576144 (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-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: Q9NAV7 (Residues: 2-138; Coverage: 99%)
Sequence domains: Globin
Structure domains: Globins

Ligands and Environments

3 bound ligands:
Ligand HEM 2 x HEM
Ligand SO4 3 x SO4
Ligand F81 1 x F81
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P212121
Unit cell:
a: 59.521Å b: 66.142Å c: 68.394Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.167 0.209
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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Citations

1 review citation

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