PDBe 2vss

X-ray diffraction
2.22Å resolution

Wild-type Hydroxycinnamoyl-CoA hydratase lyase in complex with acetyl- CoA and vanillin

Released:

Function and Biology Details

Reactions catalysed:
3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA = vanillin + acetyl- CoA. 
4-hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA = feruloyl-CoA + H(2)O. 
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Hydroxycinnamoyl-CoA hydratase-lyase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 276 amino acids
Theoretical weight: 31.04 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O69762 (Residues: 1-276; Coverage: 100%)
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains: 2-enoyl-CoA Hydratase; Chain A, domain 1
Hydroxycinnamoyl-CoA hydratase-lyase Chain: E
Molecule details ›
Chain: E
Length: 276 amino acids
Theoretical weight: 31.02 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O69762 (Residues: 1-276; Coverage: 100%)
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains: 2-enoyl-CoA Hydratase; Chain A, domain 1
Hydroxycinnamoyl-CoA hydratase-lyase Chain: F
Molecule details ›
Chain: F
Length: 276 amino acids
Theoretical weight: 31.07 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O69762 (Residues: 1-276; Coverage: 100%)
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains: 2-enoyl-CoA Hydratase; Chain A, domain 1

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 90.223Å b: 130.595Å c: 144.663Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.183 0.242
Expression system: Escherichia coli BL21(DE3)