› 4hfn

X-ray diffraction
2.1Å resolution

X-ray Crystal Structure of a Ternary Complex of Double Bond Reductase from Nicotiana tabacum

Released:
DOI: 10.2210/pdb4hfn/pdb
PDB entry 4hfn coloured by chain, front view.
PDB entry 4hfn coloured by chain, side view.
PDB entry 4hfn coloured by chain, top view.
Source organism: Nicotiana tabacum
Primary publication:
Biocatalytic Asymmetric Alkene Reduction: Crystal Structure and Characterization of a Double Bond Reductase from Nicotiana tabacum.
Mansell DJ, Toogood HS, Waller J, Hughes JM, Levy CW, Gardiner JM, Scrutton NS
ACS Catal 3 370-379 (2013)
PMID: 27547488

Function and Biology Details

Reaction catalysed: 
An n-alkanal + NADP(+) = an alk-2-enal + NADPH
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-193481 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-alkenal reductase (NADP(+)-dependent) Chains: A, B
Molecule details ›
Chains: A, B
Length: 351 amino acids
Theoretical weight: 39.2 KDa
Source organism: Nicotiana tabacum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9SLN8 (Residues: 1-343; Coverage: 100%)
Gene name: DBR
Sequence domains:
Structure domains:

Ligands and Environments


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

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: C2
Unit cell:
a: 88.86Å b: 149.86Å c: 67.21Å
α: 90° β: 115.96° γ: 90°
R-values:
R R work R free
0.174 0.172 0.221
Expression system: Escherichia coli BL21(DE3)

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Citations

6 review citations

New developments in 'ene'-reductase catalysed biological hydrogenations.
Toogood et al. (2014)
5 more

1 mention without citation

Biocatalytic Asymmetric Alkene Reduction: Crystal Structure and Characterization of a Double Bond Reductase from Nicotiana tabacum.
Mansell et al. (2013)