Inhibition of uracil DNA glycosylase by an oxacarbenium ion mimic

Biochemistry. 2002 Jun 4;41(22):7116-24. doi: 10.1021/bi025694y.

Abstract

We have investigated the inhibition of the DNA repair enzyme uracil DNA glycosylase (UDG) by an 11-mer oligonucleotide (AIA) containing a cationic 1-aza-deoxyribose (I) residue designed to be a stable mimic of the high-energy oxacarbenium ion reaction intermediate [Werner, R. M., and Stivers, J. T. (2000) Biochemistry 39, 14054-14064]. Inhibition kinetics and direct binding studies indicate that AIA binds weakly to the free enzyme (K(D) = 2 microM) but binds 4000-fold more tightly to the enzyme-uracil anion (EU) product complex (K(D) = 500 pM). The importance of the positive charge on the 1-nitrogen in binding is established by the observation that AIA binds >30 000-fold more tightly to the EU complex than the corresponding neutral tetrahydrofuran (F) abasic site product analogue (AFA). The unusual inhibition mechanism for AIA results in a time dependence that resembles slow-onset inhibition even though the apparent on-rate of the inhibitor for the EU(-) binary product complex is moderate (1 microM(-1) x s(-1)). Accordingly, the low K(D) of AIA for the EU complex is largely due its very slow off-rate (5 x 10(-4) x s(-1)). These results support previous kinetic isotope effect measurements that indicate UDG stabilizes a discrete oxacarbenium ion-uracil anion intermediate. This oxacarbenium ion mimic represents the tightest binding inhibitor of UDG yet identified.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Aza Compounds / pharmacology*
  • DNA Glycosylases*
  • Escherichia coli
  • Molecular Mimicry
  • N-Glycosyl Hydrolases / antagonists & inhibitors*
  • N-Glycosyl Hydrolases / metabolism
  • Oligonucleotides / chemical synthesis
  • Oligonucleotides / metabolism*
  • Protein Binding / physiology
  • Uracil / metabolism*
  • Uracil-DNA Glycosidase

Substances

  • Aza Compounds
  • Oligonucleotides
  • Uracil
  • DNA Glycosylases
  • N-Glycosyl Hydrolases
  • Uracil-DNA Glycosidase