PDBe 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:

Function and Biology Details

Reaction catalysed:
(1) An aliphatic (S)-hydroxynitrile = cyanide + an aliphatic aldehyde or ketone. (2) An aromatic (S)-hydroxynitrile = cyanide + an aromatic aldehyde. 
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (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: Rossmann fold

Ligands and Environments

1 bound ligand:

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