› 3wlf

X-ray diffraction
2.3Å resolution

Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with (R)-1-phenyl-1,2-ethanediol

Released:
DOI: 10.2210/pdb3wlf/pdb
PDB entry 3wlf coloured by chain, front view.
PDB entry 3wlf coloured by chain, side view.
PDB entry 3wlf coloured by chain, top view.
Source organism: Candida parapsilosis
Primary publication:
Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase.
Wang S, Nie Y, Xu Y, Zhang R, Ko TP, Huang CH, Chan HC, Guo RT, Xiao R
Chem Commun (Camb) 50 7770-2 (2014)
PMID: 24834985

Function and Biology Details

Reaction catalysed: 
A primary alcohol + NAD(+) = an aldehyde + NADH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-106738 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
alcohol dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 341 amino acids
Theoretical weight: 36.35 KDa
Source organism: Candida parapsilosis
Expression system: Escherichia coli
UniProt:
  • Canonical: A1X808 (Residues: 1-336; Coverage: 100%)
Gene names: CPRADH, rCR
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand FEH 4 x FEH
Ligand ZN 8 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13B1
Spacegroup: P212121
Unit cell:
a: 93.493Å b: 103.722Å c: 141.941Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.206 0.25
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Structural insights into alcohol dehydrogenases catalyzing asymmetric reductions.
An et al. (2019)
2 more

2 mentions without citation

Functional Classification of Super-Large Families of Enzymes Based on Substrate Binding Pocket Residues for Biocatalysis and Enzyme Engineering Applications.
Sirota et al. (2021)
1 more