› 3lb3

X-ray diffraction
1.85Å resolution

Two-site competitive inhibition in dehaloperoxidase-hemoglobin

Released:
DOI: 10.2210/pdb3lb3/pdb
PDB entry 3lb3 coloured by chain, front view.
PDB entry 3lb3 coloured by chain, side view.
PDB entry 3lb3 coloured by chain, top view.
Source organism: Amphitrite ornata
Primary publication:
Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function.
Thompson MK, Davis MF, de Serrano V, Nicoletti FP, Howes BD, Smulevich G, Franzen S
Biophys J 99 1586-95 (2010)
PMID: 20816071

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192413 (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: 15.55 KDa
Source organism: Amphitrite ornata
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9NAV8 (Residues: 2-138; Coverage: 99%)
Sequence domains: Globin
Structure domains: Globins

Ligands and Environments

3 bound ligands:
Ligand HEM 2 x HEM
Ligand 4CH 2 x 4CH
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P212121
Unit cell:
a: 58.201Å b: 67.21Å c: 68.724Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.187 0.243
Expression system: Escherichia coli

Quick links

Citations

1 review citation

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

2 mentions without citation

Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function.
Thompson et al. (2010)
1 more