View source for 9oqv


==N-hydroxylamine dehydratase (NohD) R144Y/V98A (A1/A2) mutant crystal structure with heme==
<StructureSection load='9oqv' size='340' side='right'caption='[[9oqv]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9oqv]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Actinomadura Actinomadura]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9OQV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9OQV FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.88&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=9oqv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9oqv OCA], [https://pdbe.org/9oqv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9oqv RCSB], [https://www.ebi.ac.uk/pdbsum/9oqv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9oqv ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Enzymes that form nitrogen-nitrogen bonds are employed in natural product biosynthesis and the nitrogen cycle. Piperazate synthase forms the cyclic hydrazine l-piperazic acid from l-N(5)-OH-ornithine, using heme as a cofactor. In this work, we discover sequence-related enzyme NohD that instead reacts with l-N(5)-OH-ornithine to release ammonia, and we solve its structure to 1.4 A resolution. We then employ structure-guided site-directed mutagenesis to endow variants of NohD with piperazate synthase activity. Crystal structures of the NohD variants reveal how the heme propionate changes conformation, positioning it upward toward the amino nitrogen, where it is likely to activate the amine for N-N bond-formation. This study highlights a key structural requirement for N-N bond-formation and sets the stage for the development of new N-N-bond-forming catalysts.

Conversion of a Heme-Dependent Dehydratase to a Piperazate Synthase Reveals the Role of the Heme Propionate Group in N-N Bond-Formation.,Higgins MA, Mirotadze N, Shi X, Hoffarth ER, Du YL, Ryan KS J Am Chem Soc. 2025 Oct 29;147(43):39160-39168. doi: 10.1021/jacs.5c08886. Epub , 2025 Oct 16. PMID:41101755<ref>PMID:41101755</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 9oqv" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Actinomadura]]
[[Category: Large Structures]]
[[Category: Du YL]]
[[Category: Higgins MA]]
[[Category: Hoffarth ER]]
[[Category: Ryan KS]]
[[Category: Shi X]]