› 7m1j

X-ray diffraction
1.55Å resolution

Crystal structure of dehaloperoxidase B in complex with 2,6-dibromophenol

Released:
DOI: 10.2210/pdb7m1j/pdb
PDB entry 7m1j coloured by chain, front view.
PDB entry 7m1j coloured by chain, side view.
PDB entry 7m1j coloured by chain, top view.
Source organism: Amphitrite ornata
Primary publication:
Bridging the functional gap between reactivity and inhibition in dehaloperoxidase B from Amphitrite ornata: Mechanistic and structural studies with 2,4- and 2,6-dihalophenols.
Malewschik T, Carey LM, de Serrano V, Ghiladi RA
J Inorg Biochem 236 111944 (2022)
PMID: 35969974

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
UniProt:
  • Canonical: Q9NAV7 (Residues: 2-138; Coverage: 99%)
Sequence domains: Globin

Ligands and Environments

4 bound ligands:
Ligand HEM 2 x HEM
Ligand GOL 1 x GOL
Ligand SO4 2 x SO4
Ligand 94N 1 x 94N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 59.756Å b: 66.594Å c: 68.283Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.149 0.146 0.206
Expression system: Escherichia coli

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