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2vle

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2vle, resolution 2.40Å ()
Ligands:
Activity: Aldehyde dehydrogenase (NAD(+)), with EC number 1.2.1.3
Related: 1cw3, 1nzw, 1nzx, 1nzz, 1o00, 1o01, 1o04, 1o02, 1o05, 1zum
Resources: FirstGlance, OCA, RCSB, PDBsum
Coordinates: save as pdb, mmCIF, xml


Contents

THE STRUCTURE OF DAIDZIN, A NATURALLY OCCURRING ANTI ALCOHOL-ADDICTION AGENT, IN COMPLEX WITH HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE

Publication Abstract from PubMed

The ALDH2*2 gene encoding the inactive variant form of mitochondrial aldehyde dehydrogenase (ALDH2) protects nearly all carriers of this gene from alcoholism. Inhibition of ALDH2 has hence become a possible strategy to treat alcoholism. The natural product 7-O-glucosyl-4'-hydroxyisoflavone (daidzin), isolated from the kudzu vine ( Peruraria lobata), is a specific inhibitor of ALDH2 and suppresses ethanol consumption. Daidzin is the active principle in a herbal remedy for "alcohol addiction" and provides a lead for the design of improved ALDH2. The structure of daidzin/ALDH2 in complex at 2.4 A resolution shows the isoflavone moiety of daidzin binding close to the aldehyde substrate-binding site in a hydrophobic cleft and the glucosyl function binding to a hydrophobic patch immediately outside the isoflavone-binding pocket. These observations provide an explanation for both the specificity and affinity of daidzin (IC50 =80 nM) and the affinity of analogues with different substituents at the glucosyl position.

Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase., Lowe ED, Gao GY, Johnson LN, Keung WM, J Med Chem. 2008 Aug 14;51(15):4482-7. Epub 2008 Jul 10. PMID:18613661

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

2vle is a 8 chain structure with sequence from Homo sapiens. This structure supersedes the now removed PDB entry 1of7. Full crystallographic information is available from OCA.

See Also

Reference

  • Lowe ED, Gao GY, Johnson LN, Keung WM. Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase. J Med Chem. 2008 Aug 14;51(15):4482-7. Epub 2008 Jul 10. PMID:18613661 doi:10.1021/jm800488j

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