› 8a5z

X-ray diffraction
2.31Å resolution

Imine Reductase from Ensifer adhaerens A208N mutant in complex with NADP+

Released:
DOI: 10.2210/pdb8a5z/pdb
PDB entry 8a5z coloured by chain, front view.
PDB entry 8a5z coloured by chain, side view.
PDB entry 8a5z coloured by chain, top view.
Source organism: Ensifer adhaerens
Primary publication:
A Reductive Aminase Switches to Imine Reductase Mode for a Bulky Amine Substrate.
Gilio AK, Thorpe TW, Heyam A, Petchey MR, Pogrányi B, France SP, Howard RM, Karmilowicz MJ, Lewis R, Turner N, Grogan G
OpenAccess logo ACS Catal 13 1669-1677 (2023)
PMID: 36776386

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-102360 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD_binding_2 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 296 amino acids
Theoretical weight: 31.15 KDa
Source organism: Ensifer adhaerens
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0L8BGL4 (Residues: 1-296; Coverage: 100%)
Gene name: AC244_29830
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand NAP 2 x NAP
Ligand IOD 8 x IOD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 81Å b: 89Å c: 94Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.198 0.242
Expression system: Escherichia coli

Quick links

Citations

3 citation in other articles

Biocatalysis in Drug Design: Engineered Reductive Aminases (RedAms) Are Used to Access Chiral Building Blocks with Multiple Stereocenters.
Casamajo et al. (2023)
2 more

1 mention without citation

A Reductive Aminase Switches to Imine Reductase Mode for a Bulky Amine Substrate.
Gilio et al. (2023)