› 8cjg

X-ray diffraction
2.3Å resolution

AetF, a single-component flavin-dependent tryptophan halogenase, in complex with 7-bromo-L-tryptophan

Released:
DOI: 10.2210/pdb8cjg/pdb
PDB entry 8cjg coloured by chain, front view.
PDB entry 8cjg coloured by chain, side view.
PDB entry 8cjg coloured by chain, top view.
Source organism: Aetokthonos hydrillicola Thurmond2011
Primary publication:
Structural basis of regioselective tryptophan dibromination by the single-component flavin-dependent halogenase AetF.
Gäfe S, Niemann HH
OpenAccess logo Acta Crystallogr D Struct Biol (2023)
PMID: 37314407

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-217947 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FAD/NAD(P)-binding protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 663 amino acids
Theoretical weight: 77.1 KDa
Source organism: Aetokthonos hydrillicola Thurmond2011
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A861B9Z9 (Residues: 1-655; Coverage: 98%)
Gene names: G7B40_000615, aetF

Ligands and Environments

5 bound ligands:
Ligand FAD 2 x FAD
Ligand UV3 2 x UV3
Ligand EDO 6 x EDO
Ligand PGE 2 x PGE
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P43
Unit cell:
a: 122.326Å b: 122.326Å c: 87.163Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.155 0.153 0.19
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Selective C-H Halogenation of Alkenes and Alkynes Using Flavin-Dependent Halogenases.
Jiang et al. (2024)

1 mention without citation

Structural basis of regioselective tryptophan dibromination by the single-component flavin-dependent halogenase AetF.
Gäfe et al. (2023)