› 4d3f

X-ray diffraction
1.81Å resolution

BcSIRED from Bacillus cereus in complex with NADPH

Released:
DOI: 10.2210/pdb4d3f/pdb
PDB entry 4d3f coloured by chain, front view.
PDB entry 4d3f coloured by chain, side view.
PDB entry 4d3f coloured by chain, top view.
Source organism: Bacillus cereus
Primary publication:
Structure, Activity and Stereoselectivity of NADPH-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Man H, Wells E, Hussain S, Leipold F, Hart S, Turkenburg JP, Turner NJ, Grogan G
Chembiochem 16 1052-9 (2015)
PMID: 25809902

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-164366 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
IMINE REDUCTASE Chains: A, B
Molecule details ›
Chains: A, B
Length: 310 amino acids
Theoretical weight: 33.97 KDa
Source organism: Bacillus cereus
Expression system: Escherichia coli BL21(DE3)
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand NAP 1 x NAP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 55.23Å b: 62.78Å c: 214.5Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.172 0.197
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Imine reductases (IREDs).
Mangas-Sanchez et al. (2017)
5 more

1 mention without citation

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