Binding modes for substrate and a proposed transition-state analogue of protozoan nucleoside hydrolase

Biochemistry. 1995 Oct 24;34(42):13961-6. doi: 10.1021/bi00042a030.

Abstract

The transition-state structure for inosine-uridine nucleoside hydrolase (IU-nucleoside hydrolase) from Crithidia fasciculata is characterized by oxycarbonium character in the ribosyl and weak bonds to the departing hypoxanthine and incipient water nucleophile [Horenstein, B. A., Parkin, D. W., Estupiñán, B., & Schramm, V. L. (1991) Biochemistry 30, 10788-10795]. Inhibitors designed to resemble the transition state are slow-onset, tight-binding inhibitors with observed Km/Ki values up to 2 x 10(5) [Schramm, V. L., Horenstein, B. H., & Kline, P. C. (1994) J. Biol. Chem. 269, 18259-18262]. Although slow-onset, tight binding is consistent with transition-state stabilization, more direct evidence can be obtained by comparing the groups which interact with the substrate to provide binding and catalysis with those which interact with the putative transition-state inhibitor. The Km value for inosine binding to IU-nucleoside hydrolase is independent of pH over the range 5.6-10.5. Dependencies of Vmax and Vmax/Km on pH result in pH optima near 8.0. A single group with pK of 9.1 must be protonated for catalytic activity, and protonation of a second group with a pK of 7.1 results in loss of activity. 1-(S)-Phenyl-1,4-dideoxy-1,4-imino-D-ribitol (phenyliminoribitol) binds with an equilibrium Kd of 30 nM and has been proposed to be a transition-state inhibitor. The pH dependence for the competitive inhibition by phenyliminoribitol resembles the Vmax profile with the protonation of a single group, pK 7.5, required for inhibitor binding and the protonation of a subsequent group, pK 6.6, causing loss of binding.(ABSTRACT TRUNCATED AT 250 WORDS)

Publication types

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

MeSH terms

  • Animals
  • Binding Sites
  • Binding, Competitive
  • Crithidia fasciculata / enzymology*
  • Enzyme Inhibitors / pharmacology
  • Hydrogen-Ion Concentration
  • Inosine / metabolism*
  • Kinetics
  • Molecular Structure
  • N-Glycosyl Hydrolases / antagonists & inhibitors
  • N-Glycosyl Hydrolases / chemistry*
  • N-Glycosyl Hydrolases / metabolism*
  • Ribitol / analogs & derivatives
  • Ribitol / pharmacology
  • Uridine / metabolism*

Substances

  • Enzyme Inhibitors
  • phenyliminoribitol
  • Ribitol
  • Inosine
  • N-Glycosyl Hydrolases
  • inosine-uridine hydrolase
  • Uridine