› 5ocm

X-ray diffraction
1.81Å resolution

Imine Reductase from Streptosporangium roseum in complex with NADP+ and 2,2,2-trifluoroacetophenone hydrate

Released:
DOI: 10.2210/pdb5ocm/pdb
PDB entry 5ocm coloured by chain, front view.
PDB entry 5ocm coloured by chain, side view.
PDB entry 5ocm coloured by chain, top view.
Source organism: Streptosporangium roseum
Primary publication:
New imine-reducing enzymes from β-hydroxyacid dehydrogenases by single amino acid substitutions.
Lenz M, Fademrecht S, Sharma M, Pleiss J, Grogan G, Nestl BM
Protein Eng Des Sel 31 109-120 (2018)
PMID: 29733377

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-112343 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD_Gly3P_dh, NAD-dependent glycerol-3-phosphate dehydrogenase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 291 amino acids
Theoretical weight: 30.04 KDa
Source organism: Streptosporangium roseum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: D2B7Z8 (Residues: 1-291; Coverage: 100%)
Gene name: Sros_0924
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand NAP 6 x NAP
Ligand 9RH 6 x 9RH
Ligand MG 7 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: C2221
Unit cell:
a: 92.811Å b: 152.434Å c: 251.598Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.168 0.196
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Enzymatic strategies for asymmetric synthesis.
Hall M. (2021)
11 other articles

5 mentions without citation

Synthesis of Stereoenriched Piperidines via Chemo-Enzymatic Dearomatization of Activated Pyridines.
Harawa et al. (2022)
4 more