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==Crystal structure of sulfoquinovose dioxygenase from Marinobacterium aestuarii in complex with Mn(II) and alpha-ketoglutarate==
<StructureSection load='9yuv' size='340' side='right'caption='[[9yuv]], [[Resolution|resolution]] 2.04&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9yuv]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Marinobacterium_aestuarii Marinobacterium aestuarii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9YUV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9YUV 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]] 2.035&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</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=9yuv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9yuv OCA], [https://pdbe.org/9yuv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9yuv RCSB], [https://www.ebi.ac.uk/pdbsum/9yuv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9yuv ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A0A1A9EZ58_9GAMM A0A1A9EZ58_9GAMM] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Sulfoquinovose dioxygenase (SqoD) enables bacterial carbon assimilation from the abundant sulfosugar sulfoquinovose (SQ) by Fe(ii)/alpha-ketoglutarate (alphaKG)-dependent C-S bond cleavage. Here we report crystal structures of the Marinobacterium aestuarii enzyme (MaSqoD) in multiple states with inert Mn(2+) in place of Fe(2+) (SQ-bound; Mn(2+).alphaKG; Mn(2+).alphaKG.SQ; Mn(2+).succinate), together with steady-state and pre-steady-state kinetics that link the structures with kinetically-inferred intermediates. The X-ray crystal structures show a canonical 2-His-1-carboxylate core metal center with SQ recognition via a mainly neutral network (Gln120, Trp253, backbone carbonyl of Ala185, and backbone amides of Ala89/Met118). Substrate binding triggers a hexacoordinate octahedral-to-pentacoordinate change at the metal center, unveiling a vacant site for O(2) in the fully assembled Mn(2+).alphaKG.SQ complex and thereby curbing uncoupled reactions. Pre-steady-state stopped-flow data support the canonical Fe(iv)[double bond, length as m-dash]O chemistry of the dioxygenase and reveal an additional intermediate consistent with an enzyme-bound alpha-hydroxysulfonate or 6-dehydroglucose species. Together, these findings define the structural and mechanistic basis of sulfolytic SQ catabolism and illuminate the functional repertoire of Fe(ii)/alphaKG-dependent dioxygenases in organosulfur carbon assimilation.

Structural and mechanistic basis of sulfolytic C-S bond cleavage by an Fe(ii)/alpha-ketoglutarate-dependent sulfoquinovose dioxygenase.,Lee M, Ho HNN, Maher MJ, Jameson GNL, Williams SJ Chem Sci. 2026 Feb 24;17(16):8100-8107. doi: 10.1039/d5sc09188h. eCollection 2026 , Apr 29. PMID:41777709<ref>PMID:41777709</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 9yuv" style="background-color:#fffaf0;"></div>
== References ==
<references/>
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</StructureSection>
[[Category: Large Structures]]
[[Category: Marinobacterium aestuarii]]
[[Category: Lee M]]