1gxs

X-ray diffraction
2.3Å resolution

Crystal Structure of Hydroxynitrile Lyase from Sorghum bicolor in Complex with Inhibitor Benzoic Acid: a novel cyanogenic enzyme

Released:

Function and Biology Details

Reaction catalysed:
(S)-4-hydroxymandelonitrile = cyanide + 4-hydroxybenzaldehyde
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (3 distinct):
P-(S)-hydroxymandelonitrile lyase chain A Chains: A, C
Molecule details ›
Chains: A, C
Length: 270 amino acids
Theoretical weight: 30.4 KDa
Source organism: Sorghum bicolor
UniProt:
  • Canonical: P52708 (Residues: 56-325; Coverage: 57%)
Structure domains: alpha/beta hydrolase
P-(S)-hydroxymandelonitrile lyase chain B Chains: B, D
Molecule details ›
Chains: B, D
Length: 158 amino acids
Theoretical weight: 17.71 KDa
Source organism: Sorghum bicolor
UniProt:
  • Canonical: P52708 (Residues: 338-495; Coverage: 33%)
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUL
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR571
Spacegroup: C2
Unit cell:
a: 150.7Å b: 103.7Å c: 90.6Å
α: 90° β: 101.3° γ: 90°
R-values:
R R work R free
0.165 0.165 0.222