› 4kmv

X-ray diffraction
1.44Å resolution

Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL

Released:
DOI: 10.2210/pdb4kmv/pdb
PDB entry 4kmv coloured by chain, front view.
PDB entry 4kmv coloured by chain, side view.
PDB entry 4kmv coloured by chain, top view.
Source organism: Amphitrite ornata
Primary publication:
Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Wang C, Lovelace LL, Sun S, Dawson JH, Lebioda L
Biochemistry 52 6203-10 (2013)
PMID: 23952341

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-192412 (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: 15.58 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

5 bound ligands:
Ligand HEM 2 x HEM
Ligand OXY 1 x OXY
Ligand T6C 1 x T6C
Ligand EDO 2 x EDO
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 58.539Å b: 67.804Å c: 68.368Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.133 0.201
Expression system: Escherichia coli

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Citations

1 review citation

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

1 mention without citation

Mechanisms of recognition of amyloid-β (Aβ) monomer, oligomer, and fibril by homologous antibodies.
Zhao et al. (2017)