7zhd: Difference between revisions

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'''Unreleased structure'''


The entry 7zhd is ON HOLD  until Paper Publication
==Crystal structure of CtaZ in complex with Closthioamide==
<StructureSection load='7zhd' size='340' side='right'caption='[[7zhd]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[7zhd]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Ruminiclostridium_cellulolyticum Ruminiclostridium cellulolyticum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ZHD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZHD FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IQ4:~{N}-[3-[[3-[3-[3-[3-[(4-hydroxyphenyl)carbothioylamino]propanethioylamino]propanethioylamino]propylamino]-3-sulfanylidene-propyl]amino]-3-sulfanylidene-propyl]-4-oxidanyl-benzenecarbothioamide'>IQ4</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=TRS:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL'>TRS</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=7zhd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zhd OCA], [https://pdbe.org/7zhd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zhd RCSB], [https://www.ebi.ac.uk/pdbsum/7zhd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zhd ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/B8I0Z6_RUMCH B8I0Z6_RUMCH]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Understanding antibiotic resistance mechanisms is central to the development of anti-infective therapies and genomics-based drug discovery. Yet, many knowledge gaps remain regarding the resistance strategies employed against novel types of antibiotics from less-explored producers such as anaerobic bacteria, among them the Clostridia. Through the use of genome editing and functional assays, we found that CtaZ confers self-resistance against the copper chelator and gyrase inhibitor closthioamide (CTA) in Ruminiclostridium cellulolyticum. Bioinformatics, biochemical analyses, and X-ray crystallography revealed CtaZ as a founding member of a new group of GyrI-like proteins. CtaZ is unique in binding a polythioamide scaffold in a ligand-optimized hydrophobic pocket, thereby confining CTA. By genome mining using CtaZ as a handle, we discovered previously overlooked homologs encoded by diverse members of the phylum Firmicutes, including many pathogens. In addition to characterizing both a new role for a GyrI-like domain in self-resistance and unprecedented thioamide binding, this work aids in uncovering related drug-resistance mechanisms.


Authors: Gude, F., Molloy, E.M., Horch, T., Dell, M., Dunbar, K.L., Krabbe, J., Groll, M., Hertweck, C.
A Specialized Polythioamide-Binding Protein Confers Antibiotic Self-Resistance in Anaerobic Bacteria.,Gude F, Molloy EM, Horch T, Dell M, Dunbar KL, Krabbe J, Groll M, Hertweck C Angew Chem Int Ed Engl. 2022 Sep 12;61(37):e202206168. doi:, 10.1002/anie.202206168. Epub 2022 Aug 3. PMID:35852818<ref>PMID:35852818</ref>


Description: Crystal structure of CtaZ in complex with Closthioamide
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Krabbe, J]]
<div class="pdbe-citations 7zhd" style="background-color:#fffaf0;"></div>
[[Category: Hertweck, C]]
== References ==
[[Category: Gude, F]]
<references/>
[[Category: Molloy, E.M]]
__TOC__
[[Category: Dell, M]]
</StructureSection>
[[Category: Horch, T]]
[[Category: Large Structures]]
[[Category: Dunbar, K.L]]
[[Category: Ruminiclostridium cellulolyticum]]
[[Category: Groll, M]]
[[Category: Dell M]]
[[Category: Dunbar KL]]
[[Category: Groll M]]
[[Category: Gude F]]
[[Category: Hertweck C]]
[[Category: Horch T]]
[[Category: Krabbe J]]
[[Category: Molloy EM]]
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