10gw: Difference between revisions

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'''Unreleased structure'''


The entry 10gw is ON HOLD  until Paper Publication
==Crystal structure of tetrameric 6-phosphogluconate dehydrogenase from Gluconobacter oxydans in complex with 6-phosphogluconate==
<StructureSection load='10gw' size='340' side='right'caption='[[10gw]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[10gw]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Gluconobacter_oxydans Gluconobacter oxydans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=10GW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=10GW 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&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6PG:6-PHOSPHOGLUCONIC+ACID'>6PG</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=10gw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=10gw OCA], [https://pdbe.org/10gw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=10gw RCSB], [https://www.ebi.ac.uk/pdbsum/10gw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=10gw ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/6PGDH_GLUOX 6PGDH_GLUOX] Catalyzes the oxidative decarboxylation of 6-phosphogluconate to ribulose 5-phosphate and CO(2), with concomitant reduction of NAD to NADH.<ref>PMID:20676631</ref>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
6-Phosphogluconate dehydrogenases (6PGDHs) catalyze a key oxidative step in the oxidative pentose phosphate pathway (oxPPP), a route essential for NAD(P)H generation and carbon metabolism in bacteria and eukaryotes. While the structural basis of substrate recognition is well established for long-chain dimeric 6PGDHs, the mechanisms used by short-chain tetrameric enzymes remain poorly defined. Here, we present a 2.0 A crystal structure of tetrameric 6PGDH from Gluconobacter oxydans (Go6PGDH) in complex with 6-phosphogluconate (6PG) and integrate it with evolutionary, computational, and functional analyses. The structure shows that, unlike dimeric homologs, tetrameric Go6PGDH does not undergo a domain-closure transition upon ligand binding. Instead, 6PG induces a compaction of the tetramer mediated by two conserved C-terminal elements: an inter-protomer ionic "lock" and an intra-subunit C-terminal "latch" that together stabilize a closed catalytic pocket. Molecular-dynamics simulations identify His328 as a central residue that couples C-terminal tail closure to direct ligand coordination, and mutagenesis analysis confirms its essential role in catalytic efficiency. Thermodynamic measurements reveal that 6PG binding is strongly enthalpy-driven, consistent with the formation of an ordered hydrogen-bonding and electrostatic network in the closed conformation. These findings define a substrate-induced quaternary-tightening mechanism unique to tetrameric 6PGDHs and illustrate how a conserved C-terminal module has been adapted across the family to regulate substrate binding and catalysis.


Authors:  
Structural, dynamic, and evolutionary determinants of substrate binding in the tetrameric 6-phosphogluconate dehydrogenase from Gluconobacter oxydans.,Maturana P, Villalobos P, Roversi P, Cabrera R Arch Biochem Biophys. 2026 May;779:110779. doi: 10.1016/j.abb.2026.110779. Epub , 2026 Feb 28. PMID:41765070<ref>PMID:41765070</ref>


Description:  
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
<div class="pdbe-citations 10gw" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Gluconobacter oxydans]]
[[Category: Large Structures]]
[[Category: Cabrera R]]
[[Category: Castro-Fernandez V]]
[[Category: Gonzalez-Ordenes F]]
[[Category: Maturana P]]
[[Category: Roversi P]]
[[Category: Villalobos P]]
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