› 5ojl

X-ray diffraction
1.56Å resolution

Imine Reductase from Aspergillus terreus in complex with NADPH4 and dibenz[c,e]azepine

Released:
DOI: 10.2210/pdb5ojl/pdb
PDB entry 5ojl coloured by chain, front view.
PDB entry 5ojl coloured by chain, side view.
PDB entry 5ojl coloured by chain, top view.
Source organism: Aspergillus terreus
Primary publication:
Biocatalytic Routes to Enantiomerically Enriched Dibenz[c,e]azepines.
France SP, Aleku GA, Sharma M, Mangas-Sanchez J, Howard RM, Steflik J, Kumar R, Adams RW, Slabu I, Crook R, Grogan G, Wallace TW, Turner NJ
Angew Chem Int Ed Engl 56 15589-15593 (2017)
PMID: 29024400

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170873 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Imine reductase Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 30.76 KDa
Source organism: Aspergillus terreus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q0CCT3 (Residues: 1-298; Coverage: 100%)
Gene name: ATEG_08501
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand 9X5 1 x 9X5
Ligand TXP 1 x TXP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2221
Unit cell:
a: 53.329Å b: 61.128Å c: 167.811Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.237 0.235 0.278
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Reductive aminations by imine reductases: from milligrams to tons.
Gilio et al. (2022)
1 more

2 mentions without citation

Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases.
Mangas-Sanchez et al. (2020)
1 more