› 7olo

X-ray diffraction
2Å resolution

Dioxygenase AsqJ mutant (V72I) in complex with 2b and glycerol

Released:
DOI: 10.2210/pdb7olo/pdb
PDB entry 7olo coloured by chain, front view.
PDB entry 7olo coloured by chain, side view.
PDB entry 7olo coloured by chain, top view.
Source organism: Aspergillus nidulans FGSC A4
Primary publication:
Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ.
Auman D, Ecker F, Mader SL, Dorst KM, Bräuer A, Widmalm G, Groll M, Kaila VRI
J Am Chem Soc (2022)
PMID: 35980821

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-176883 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Iron/alpha-ketoglutarate-dependent dioxygenase asqJ Chain: A
Molecule details ›
Chain: A
Length: 308 amino acids
Theoretical weight: 33.99 KDa
Source organism: Aspergillus nidulans FGSC A4
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5AR53 (Residues: 110-416; Coverage: 74%)
Gene names: AN9227, asqJ
Sequence domains: Phytanoyl-CoA dioxygenase (PhyH)

Ligands and Environments

5 bound ligands:
Ligand NI 1 x NI
Ligand CO0 1 x CO0
Ligand BR 1 x BR
Ligand CL 1 x CL
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2221
Unit cell:
a: 73.98Å b: 121.24Å c: 67.32Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.18 0.206
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Discovery of extended product structural space of the fungal dioxygenase AsqJ.
Einsiedler et al. (2023)