Crystal structure of human ABAD/HSD10 with a bound inhibitor: implications for design of Alzheimer's disease therapeutics

J Mol Biol. 2004 Sep 17;342(3):943-52. doi: 10.1016/j.jmb.2004.07.071.

Abstract

The enzyme 17beta-hydroxysteroid dehydrogenase type 10 (HSD10), also known as amyloid beta-peptide-binding alcohol dehydrogenase (ABAD), has been implicated in the development of Alzheimer's disease. This protein, a member of the short-chain dehydrogenase/reductase family of enzymes, has been shown to bind beta-amyloid and to participate in beta-amyloid neurotoxicity. We have determined the crystal structure of human ABAD/HSD10 complexed with NAD(+) and an inhibitory small molecule. The inhibitor occupies the substrate-binding site and forms a covalent adduct with the NAD(+) cofactor. The crystal structure provides a basis for the design of potent, highly specific ABAD/HSD10 inhibitors with potential application in the treatment of Alzheimer's disease.

MeSH terms

  • 3-Hydroxyacyl CoA Dehydrogenases / antagonists & inhibitors*
  • 3-Hydroxyacyl CoA Dehydrogenases / chemistry*
  • 3-Hydroxyacyl CoA Dehydrogenases / genetics
  • 3-Hydroxyacyl CoA Dehydrogenases / metabolism
  • Alzheimer Disease / drug therapy*
  • Alzheimer Disease / enzymology*
  • Amino Acid Sequence
  • Amyloid beta-Peptides / metabolism
  • Base Sequence
  • Catalytic Domain
  • Crystallography, X-Ray
  • DNA, Complementary / genetics
  • Drug Design
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology
  • Humans
  • In Vitro Techniques
  • Kinetics
  • Models, Molecular
  • Molecular Sequence Data
  • Mutagenesis, Site-Directed
  • NAD / chemistry
  • Protein Conformation
  • Protein Structure, Quaternary
  • Recombinant Proteins / antagonists & inhibitors
  • Recombinant Proteins / chemistry
  • Recombinant Proteins / genetics
  • Recombinant Proteins / metabolism
  • Sequence Homology, Amino Acid

Substances

  • Amyloid beta-Peptides
  • DNA, Complementary
  • Enzyme Inhibitors
  • Recombinant Proteins
  • NAD
  • 3-Hydroxyacyl CoA Dehydrogenases
  • HSD17B10 protein, human

Associated data

  • PDB/1U7T