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Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) bound to ethyl (R)-4-cyano-3-hydroxybutyrate

X-ray diffraction
2.49Å resolution
PDB entry 4ixt coloured by chain, front view.
PDB entry 4ixt coloured by chain, side view.
PDB entry 4ixt coloured by chain, top view.
Source organism: Agrobacterium tumefaciens
Assembly composition:
homo tetramer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Halohydrin dehalogenase
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Multimeric state: homo tetramer
Accessible surface area: 33141.11 Å2
Buried surface area: 16088.45 Å2
Dissociation area: 4,351.58 Å2
Dissociation energy (ΔGdiss): 64.73 kcal/mol
Dissociation entropy (TΔSdiss): 15.16 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-188042

Macromolecules

Halohydrin dehalogenase
Chains: A, B
Length: 254 amino acids
Theoretical weight: 27.84 KDa
Source organism: Agrobacterium tumefaciens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q93D82 (Residues: 1-254; Coverage: 100%)
Gene name: hheC
Pfam: Enoyl-(Acyl carrier protein) reductase
InterPro:
CATH: NAD(P)-binding Rossmann-like Domain
Halohydrin dehalogenase in PDB entry 4ixt, assembly 1, front view.
Halohydrin dehalogenase in PDB entry 4ixt, assembly 1, side view.
Halohydrin dehalogenase in PDB entry 4ixt, assembly 1, top view.
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