› 5g6s

X-ray diffraction
2.35Å resolution

Imine reductase from Aspergillus oryzae in complex with NADP(H) and (R)-rasagiline

Released:
DOI: 10.2210/pdb5g6s/pdb
PDB entry 5g6s coloured by chain, front view.
PDB entry 5g6s coloured by chain, side view.
PDB entry 5g6s coloured by chain, top view.
Source organism: Aspergillus oryzae
Primary publication:
A reductive aminase from Aspergillus oryzae.
Aleku GA, France SP, Man H, Mangas-Sanchez J, Montgomery SL, Sharma M, Leipold F, Hussain S, Grogan G, Turner NJ
Nat Chem 9 961-969 (2017)
PMID: 28937665

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174056 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADPH-dependent reductive aminase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 295 amino acids
Theoretical weight: 31.18 KDa
Source organism: Aspergillus oryzae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2TW47 (Residues: 1-295; Coverage: 100%)
Gene name: AO090010000708
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand NDP 8 x NDP
Ligand RAU 8 x RAU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P1
Unit cell:
a: 79.822Å b: 80.255Å c: 123.895Å
α: 108.75° β: 108.78° γ: 90.05°
R-values:
R R work R free
0.206 0.204 0.229
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

13 review citations

Biocatalysis: Enzymatic Synthesis for Industrial Applications.
Wu et al. (2021)
12 more

4 mentions without citation

Redesigning Enzymes for Biocatalysis: Exploiting Structural Understanding for Improved Selectivity.
Ding et al. (2022)
3 more