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

X-ray diffraction
2.3Å resolution
PDB entry 1gxs coloured by chain, front view.
PDB entry 1gxs coloured by chain, side view.
PDB entry 1gxs coloured by chain, top view.
Source organism: Sorghum bicolor
Assembly composition:
hetero tetramer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: P-(S)-hydroxymandelonitrile lyase chain A
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Multimeric state: hetero tetramer
Accessible surface area: 30038.51 Å2
Buried surface area: 26307.01 Å2
Dissociation area: 1,623.08 Å2
Dissociation energy (ΔGdiss): 3.74 kcal/mol
Dissociation entropy (TΔSdiss): 14.35 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-156607

Macromolecules

P-(S)-hydroxymandelonitrile lyase chain A
Chains: A, C
Length: 270 amino acids
Theoretical weight: 30.4 KDa
Source organism: Sorghum bicolor
UniProt:
  • Canonical: P52708 (Residues: 56-325; Coverage: 57%)
Pfam: Serine carboxypeptidase
InterPro:
CATH: alpha/beta hydrolase
SCOP: Serine carboxypeptidase-like
P-(S)-hydroxymandelonitrile lyase chain A in PDB entry 1gxs, assembly 1, front view.
P-(S)-hydroxymandelonitrile lyase chain A in PDB entry 1gxs, assembly 1, side view.
P-(S)-hydroxymandelonitrile lyase chain A in PDB entry 1gxs, assembly 1, top view.
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P-(S)-hydroxymandelonitrile lyase chain B
Chains: B, D
Length: 158 amino acids
Theoretical weight: 17.71 KDa
Source organism: Sorghum bicolor
UniProt:
  • Canonical: P52708 (Residues: 338-495; Coverage: 33%)
Pfam: Serine carboxypeptidase
InterPro:
CATH:
SCOP: Serine carboxypeptidase-like
P-(S)-hydroxymandelonitrile lyase chain B in PDB entry 1gxs, assembly 1, front view.
P-(S)-hydroxymandelonitrile lyase chain B in PDB entry 1gxs, assembly 1, side view.
P-(S)-hydroxymandelonitrile lyase chain B in PDB entry 1gxs, assembly 1, top view.
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