› 1dwo

X-ray diffraction
2.2Å resolution

Crystal Structure of Hydroxynitrile Lyase from Manihot esculenta in Complex with Substrates Acetone and Chloroacetone:Implications for the Mechanism of Cyanogenesis

Released:
DOI: 10.2210/pdb1dwo/pdb
PDB entry 1dwo coloured by chain, front view.
PDB entry 1dwo coloured by chain, side view.
PDB entry 1dwo coloured by chain, top view.
Source organism: Manihot esculenta
Primary publication:
Structure of hydroxynitrile lyase from Manihot esculenta in complex with substrates acetone and chloroacetone: implications for the mechanism of cyanogenesis.
Lauble H, Förster S, Miehlich B, Wajant H, Effenberger F
Acta Crystallogr D Biol Crystallogr 57 194-200 (2001)
PMID: 11173464

Function and Biology Details

Reaction catalysed: 
An aliphatic (S)-hydroxynitrile = cyanide + an aliphatic aldehyde or ketone
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156606 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(S)-hydroxynitrile lyase Chains: A, B
Molecule details ›
Chains: A, B
Length: 262 amino acids
Theoretical weight: 29.84 KDa
Source organism: Manihot esculenta
Expression system: Escherichia coli
UniProt:
  • Canonical: P52705 (Residues: 2-258; Coverage: 100%)
Gene name: HNL
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P41212
Unit cell:
a: 105.5Å b: 105.5Å c: 188.5Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.192 0.252
Expression system: Escherichia coli

Quick links

Citations

4 review citations

How to overcome limitations in biotechnological processes - examples from hydroxynitrile lyase applications.
Andexer et al. (2009)
3 more

2 mentions without citation

Mechanistic aspects of cyanogenesis from active-site mutant Ser80Ala of hydroxynitrile lyase from Manihot esculenta in complex with acetone cyanohydrin.
Lauble et al. (2001)
1 more