View source for 6z94


==[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz)(S-SAD data)==
<StructureSection load='6z94' size='340' side='right'caption='[[6z94]], [[Resolution|resolution]] 1.76&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6Z94 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6Z94 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]] 1.759&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene>, <scene name='pdbligand=SF4:IRON/SULFUR+CLUSTER'>SF4</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=6z94 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6z94 OCA], [https://pdbe.org/6z94 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6z94 RCSB], [https://www.ebi.ac.uk/pdbsum/6z94 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6z94 ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
We recently discovered a [Fe-S]-containing protein with in vivo thiouracil desulfidase activity called TudS. We report here the crystal structure of TudS, refined at 1.5 A resolution, which harbors a [4Fe-4S] cluster, bound by three cysteines only. Incubation of TudS crystals with 4-thiouracil trapped the cluster with a hydrosulfide ligand bound to the fourth non-protein-bonded iron, as established by the sulfur anomalous signal. This indicates that a [4Fe-5S] state of the cluster is a catalytic intermediate in the desulfuration reaction. Structural data and site-directed mutagenesis indicate that a water molecule is located next to the hydrosulfide ligand and to two catalytically important residues, Ser101 and Glu45. This information together with modeling studies allow us to propose a mechanism for the unprecedented nonredox enzymatic desulfuration of thiouracil, in which a [4Fe-4S] cluster binds and activates the sulfur atom of the substrate.

Structural evidence for a [4Fe-5S] intermediate in the non-redox desulfuration of thiouracil.,Zhou J, Pecqueur L, Aucynaite A, Fuchs J, Rutkiene R, Vaitekunas J, Meskys R, Boll M, Fontecave M, Urbonavicius J, Golinelli-Pimpaneau B Angew Chem Int Ed Engl. 2020 Sep 15. doi: 10.1002/anie.202011211. PMID:32929873<ref>PMID:32929873</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6z94" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Fontecave M]]
[[Category: Golinelli-Pimpaneau B]]
[[Category: Pecqueur L]]
[[Category: Zhou J]]