A two-domain structure of one subunit explains unique features of eukaryotic hydratase 2

J Biol Chem. 2004 Jun 4;279(23):24666-72. doi: 10.1074/jbc.M400293200. Epub 2004 Mar 29.

Abstract

2-Enoyl-CoA hydratase 2, a part from multifunctional enzyme type 2, hydrates trans-2-enoyl-CoA to 3-hydroxyacyl-CoA in the (3R)-hydroxy-dependent route of peroxisomal beta-oxidation of fatty acids. Unliganded and (3R)-hydroxydecanoyl coenzyme A-complexed crystal structures of 2-enoyl-CoA hydratase 2 from Candida tropicalis multifunctional enzyme type 2 were solved to 1.95- and 2.35-A resolution, respectively. 2-Enoyl-CoA hydratase 2 is a dimeric, alpha+beta protein with a novel quaternary structure. The overall structure of the two-domain subunit of eukaryotic 2-enoyl-CoA hydratase 2 resembles the homodimeric, hot dog fold structures of prokaryotic (R)-specific 2-enoyl-CoA hydratase and beta-hydroxydecanoyl thiol ester dehydrase. Importantly, though, the eukaryotic hydratase 2 has a complete hot dog fold only in its C-domain, whereas the N-domain lacks a long central alpha-helix, thus creating space for bulkier substrates in the binding pocket and explaining the observed difference in substrate preference between eukaryotic and prokaryotic enzymes. Although the N- and C-domains have an identity of <10% at the amino acid level, they share a 50% identity at the nucleotide level and fold similarly. We suggest that a subunit of 2-enoyl-CoA hydratase 2 has evolved via a gene duplication with the concomitant loss of one catalytic site. The hydrogen bonding network of the active site of 2-enoyl-CoA hydratase 2 resembles the active site geometry of mitochondrial (S)-specific 2-enoyl-CoA hydratase 1, although in a mirror image fashion. This arrangement allows the reaction to occur by similar mechanism, supported by mutagenesis and mechanistic studies, although via reciprocal stereochemistry.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acyl Coenzyme A / chemistry
  • Amino Acid Sequence
  • Binding Sites
  • Candida tropicalis / enzymology
  • Catalysis
  • Catalytic Domain
  • Enoyl-CoA Hydratase / chemistry*
  • Fatty Acids / metabolism
  • Hydrogen Bonding
  • Ligands
  • Models, Chemical
  • Models, Molecular
  • Molecular Sequence Data
  • Mutagenesis
  • Protein Binding
  • Protein Conformation
  • Protein Structure, Quaternary
  • Protein Structure, Secondary
  • Protein Structure, Tertiary
  • Sequence Homology, Amino Acid
  • Stereoisomerism

Substances

  • Acyl Coenzyme A
  • Fatty Acids
  • Ligands
  • 3-hydroxydecanoyl-coenzyme A
  • Enoyl-CoA Hydratase
  • long-chain-enoyl-CoA hydratase

Associated data

  • PDB/1PN2
  • PDB/1PN4