Microbial Denitrification: Active Site and Reaction Path Models Predict New Isotopic Fingerprints.

ABSTRACT: The study of isotopic fingerprints in nitrate (δ¹⁵N, δ¹⁸O, Δ¹⁷O) has enabled pivotal insights into the global nitrogen cycle and revealed new knowledge gaps. Measuring populations of isotopic homologs of intact NO₃ ^- ions (isotopologues) shows promise to advance the understanding of nitrogen cycling processes; however, we need new theory and predictions to guide laboratory experiments and field studies. We investigated the hypothesis that the isotopic composition of the residual nitrate pool is controlled by the N-O bond-breaking step in Nar dissimilatory nitrate reductase using molecular models of the enzyme active sites and associated kinetic isotope effects (KIEs). We integrated the molecular model results into reaction path models

SUBMITTER: Boettger JD 

PROVIDER: S-EPMC9677970 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature