› 3nnf

X-ray diffraction
2.2Å resolution

Halogenase domain from CurA module with Fe, chloride, and alpha-ketoglutarate

Released:
DOI: 10.2210/pdb3nnf/pdb
PDB entry 3nnf coloured by chain, front view.
PDB entry 3nnf coloured by chain, side view.
PDB entry 3nnf coloured by chain, top view.
Source organism: Lyngbya majuscula
Primary publication:
Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis.
Khare D, Wang B, Gu L, Razelun J, Sherman DH, Gerwick WH, Håkansson K, Smith JL
Proc Natl Acad Sci U S A 107 14099-104 (2010)
PMID: 20660778

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179536 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
CurA Chain: A
Molecule details ›
Chain: A
Length: 344 amino acids
Theoretical weight: 39.91 KDa
Source organism: Lyngbya majuscula
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6DNF2 (Residues: 1600-1919; Coverage: 14%)
Gene name: curA
Sequence domains: Phytanoyl-CoA dioxygenase (PhyH)
Structure domains: q2cbj1_9rhob like domain

Ligands and Environments

4 bound ligands:
Ligand FE 1 x FE
Ligand FMT 6 x FMT
Ligand AKG 1 x AKG
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P43212
Unit cell:
a: 87.563Å b: 87.563Å c: 157.745Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.195 0.23
Expression system: Escherichia coli

Quick links

Citations

12 review citations

Dioxygen activation by nonheme iron enzymes with the 2-His-1-carboxylate facial triad that generate high-valent oxoiron oxidants.
Kal et al. (2017)
11 more

4 mentions without citation

Enzymatic Halogenation and Dehalogenation Reactions: Pervasive and Mechanistically Diverse.
Agarwal et al. (2017)
3 more