› 7wnw

X-ray diffraction
2.13Å resolution

Crystal structure of Imine Reductase Mutant(M5) from Actinoalloteichus hymeniacidonis in complex with NADPH

Released:
DOI: 10.2210/pdb7wnw/pdb
PDB entry 7wnw coloured by chain, front view.
PDB entry 7wnw coloured by chain, side view.
PDB entry 7wnw coloured by chain, top view.
Source organism: Actinoalloteichus hymeniacidonis
Primary publication:
Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering.
Zhang J, Liao D, Chen R, Zhu F, Ma Y, Gao L, Qu G, Cui C, Sun Z, Lei X, Gao SS
Angew Chem Int Ed Engl 61 e202201908 (2022)
PMID: 35322515

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-245426 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 336 amino acids
Theoretical weight: 35.26 KDa
Source organism: Actinoalloteichus hymeniacidonis
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

1 bound ligand:
Ligand NAP 2 x NAP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL02U1
Spacegroup: C2
Unit cell:
a: 120.555Å b: 62.444Å c: 93.316Å
α: 90° β: 96.753° γ: 90°
R-values:
R R work R free
0.206 0.203 0.26
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

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