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A ternary complex of Hydroxycinnamoyl-CoA Hydratase-Lyase (HCHL) with acetyl-Coenzyme A and vanillin gives insights into substrate specificity and mechanism.

X-ray diffraction
1.9Å resolution
PDB entry 2vsu coloured by chain, front view.
PDB entry 2vsu coloured by chain, side view.
PDB entry 2vsu coloured by chain, top view.
Source organism: Pseudomonas fluorescens
Assembly composition:
hetero hexamer (preferred)
Entry contents: 4 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Hydroxycinnamoyl-CoA hydratase-lyase
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Multimeric state: hetero hexamer
Accessible surface area: 45720.89 Ã…2
Buried surface area: 33934.81 Ã…2
Dissociation area: 4,663.55 Ã…2
Dissociation energy (ΔGdiss): 37.23 kcal/mol
Dissociation entropy (TΔSdiss): 15.94 kcal/mol
Symmetry number: 6
PDBe Complex ID: PDB-CPX-130662

Macromolecules

Hydroxycinnamoyl-CoA hydratase-lyase
Chains: A, B, D
Length: 276 amino acids
Theoretical weight: 31.03 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O69762 (Residues: 1-276; Coverage: 100%)
Pfam: Enoyl-CoA hydratase/isomerase
InterPro:
CATH:
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, front view.
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, side view.
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, top view.
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Hydroxycinnamoyl-CoA hydratase-lyase
Chain: C
Length: 275 amino acids
Theoretical weight: 30.9 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O69762 (Residues: 1-276; Coverage: 100%)
Pfam: Enoyl-CoA hydratase/isomerase
InterPro:
CATH:
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, front view.
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, side view.
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, top view.
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Hydroxycinnamoyl-CoA hydratase-lyase
Chain: E
Length: 276 amino acids
Theoretical weight: 31.01 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O69762 (Residues: 1-276; Coverage: 100%)
Pfam: Enoyl-CoA hydratase/isomerase
InterPro:
CATH:
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, front view.
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, side view.
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, top view.
Molecule details ›

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Hydroxycinnamoyl-CoA hydratase-lyase
Chain: F
Length: 276 amino acids
Theoretical weight: 31.06 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O69762 (Residues: 1-276; Coverage: 100%)
Pfam: Enoyl-CoA hydratase/isomerase
InterPro:
CATH:
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, front view.
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, side view.
Hydroxycinnamoyl-CoA hydratase-lyase in PDB entry 2vsu, assembly 1, top view.
Molecule details ›

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