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DuBois, J.

Publications and source records attributed to DuBois, J..

2 recordsLinked to original sources

How the microbiome liberates iron from heme

The microbiome is a hidden organ system with diverse metabolic roles. Using Bacteroides thetaiotaomicron (B theta) as a model, we asked how microbiome species process iron, the quintessential biometal supporting respiration and life as we know it, when iron is provided in complex with protoporphyrin IX (PPIX) as heme. An intestinal transporter for heme has not been unequivocally identified. Canonical pathways for reclaiming heme iron from host cells or the diet require O2, which is unavailable in the GI tract and many pathological microenvironments. HmuS, a homolog of cobalamine-(vitamin B12) and chlorophyll-building chelatases, is widespread in anaerobic microbial ecosystems. In this work, we provide direct physiological, biochemical, and structural evidence for the anaerobic removal of iron from heme by HmuS, a de-chelatase that deconstructs heme to PPIX and Fe(II). We show that heme can be used as a sole iron source by B theta, yielding PPIX, and that hmuS inactivation under these conditions is lethal. Iron removal from heme depends on the B theta membrane fraction, NADH, and O2 exclusion. Absorbance spectra indicate that heterologously expressed HmuS is isolated with a non-substrate heme bound and can accommodate multiple heme equivalents under saturating conditions. Solution of the cryoEM structure reveals heme and two cations at sites that are conserved across the HmuS family and the chelatase superfamily, respectively. The proposed structure-based mechanism for iron removal further links biosynthetic and biodegradative pathways for heme, chlorophyll, and vitamin B12, three ancient and biologically crucial metallocofactors. Significance StatementIron in its heme and non-heme forms is essential for nearly all life. This work defines a microbial mechanism for metabolizing heme that is widespread in gastrointestinal and other anaerobic ecosystems. To date, an intestinal cellular transporter for heme has not been unequivocally identified. However, heme, abundant in both red meat diets and animal cells, is converted by the bacterial HmuS enzyme into a non-heme form from which the iron can be repurposed. HmuS enzymes form a distinct de-chelatase subset of a superfamily of chelatases that catalyze metal insertion into chlorophyll and vitamin B12, indicating convergence of metabolic pathways for biosynthesis and degradation of three of lifes essential metallocofactors. Understanding HmuS function supports engineered approaches to directing microbiome-host metabolism and offsetting heme-associated pathologies including anemia, inflammation, and cancer.

biochemistry↗

Molecular mechanism of the chitinolytic monocopper peroxygenase reaction

Lytic polysaccharide monooxygenases (LPMOs) are a recently discovered class of monocopper enzymes, broadly distributed across the Tree of Life. We recently reported that LPMOs can use H2O2 as an oxidant, revealing a novel reaction pathway. Here, we aimed to elucidate the H2O2-mediated reaction mechanism with experimental and computational approaches. In silico studies suggest that a network of hydrogen bonds, involving both the enzyme and the substrate, brings H2O2 into a strained reactive conformation, and guides the derived hydroxyl radical towards formation of a copper-oxyl intermediate. The initial H2O2 homolytic cleavage and subsequent hydrogen atom abstraction from chitin by the copper-oxyl intermediate are suggested to be the main energy barriers. Under single turnover conditions, stopped-flow fluorimetry demonstrates that LPMO-Cu(II) reduction to Cu(I) is a fast process compared to the re-oxidation reactions. We found that re-oxidation of LPMO-Cu(I) is 2000-fold faster with H2O2 than with O2, the latter being several orders of magnitude slower than rates reported for other monooxygenases. In agreement with the notion of ternary complex formation, when chitin is added, re-oxidation by H2O2 is accelerated whereas that by O2 slows. Simulations indicated that Glu60, a highly-conserved residue, gates the access to the confined active site and constrains H2O2 during catalysis, and Glu60 mutations significantly decreased the enzyme performance. By providing molecular and kinetic insights into the peroxygenase activity of chitinolytic LPMOs, this study will aid the development of applications of enzymatic and synthetic copper catalysis and contribute to understanding pathogenesis, notably chitinolytic plant defenses against fungi and insects. O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=108 SRC="FIGDIR/small/541292v1_ufig1.gif" ALT="Figure 1"> View larger version (28K): org.highwire.dtl.DTLVardef@92826org.highwire.dtl.DTLVardef@12b0a19org.highwire.dtl.DTLVardef@a3fa2aorg.highwire.dtl.DTLVardef@17cfa80_HPS_FORMAT_FIGEXP M_FIG C_FIG

biochemistry↗