Structural basis for the stereospecific inhibition of the dual proline/hydroxyproline catabolic enzyme ALDH4A1 by trans-4-hydroxy-L-proline

Protein Sci. 2021 Aug;30(8):1714-1722. doi: 10.1002/pro.4131. Epub 2021 Jun 4.

Abstract

Aldehyde dehydrogenase 4A1 (ALDH4A1) catalyzes the final steps of both proline and hydroxyproline catabolism. It is a dual substrate enzyme that catalyzes the NAD+ -dependent oxidations of L-glutamate-γ-semialdehyde to L-glutamate (proline metabolism), and 4-hydroxy-L-glutamate-γ-semialdehyde to 4-erythro-hydroxy-L-glutamate (hydroxyproline metabolism). Here we investigated the inhibition of mouse ALDH4A1 by the six stereoisomers of proline and 4-hydroxyproline using steady-state kinetics and X-ray crystallography. Trans-4-hydroxy-L-proline is the strongest of the inhibitors studied, characterized by a competitive inhibition constant of 0.7 mM, followed by L-proline (1.9 mM). The other compounds are very weak inhibitors (approximately 10 mM or greater). Insight into the selectivity for L-stereoisomers was obtained by solving crystal structures of ALDH4A1 complexed with trans-4-hydroxy-L-proline and trans-4-hydroxy-D-proline. The structures suggest that the 10-fold greater preference for the L-stereoisomer is due to a serine residue that hydrogen bonds to the amine group of trans-4-hydroxy-L-proline. In contrast, the amine group of the D-stereoisomer lacks a direct interaction with the enzyme due to a different orientation of the pyrrolidine ring. These results suggest that hydroxyproline catabolism is subject to substrate inhibition by trans-4-hydroxy-L-proline, analogous to the known inhibition of proline catabolism by L-proline. Also, drugs targeting the first enzyme of hydroxyproline catabolism, by elevating the level of trans-4-hydroxy-L-proline, may inadvertently impair proline catabolism by the inhibition of ALDH4A1.

Keywords: ALDH4A1; L-glutamate-γ-semialdehyde dehydrogenase; X-ray crystallography; aldehyde dehydrogenase; enzyme inhibition; hydroxyproline catabolism; proline metabolism.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • 1-Pyrroline-5-Carboxylate Dehydrogenase* / antagonists & inhibitors
  • 1-Pyrroline-5-Carboxylate Dehydrogenase* / chemistry
  • 1-Pyrroline-5-Carboxylate Dehydrogenase* / metabolism
  • Animals
  • Crystallography, X-Ray
  • Hydroxyproline / chemistry*
  • Mice
  • Models, Molecular
  • Proline / chemistry*
  • Stereoisomerism

Substances

  • Proline
  • 1-Pyrroline-5-Carboxylate Dehydrogenase
  • Hydroxyproline