View source for 5mxk


==Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9.==
<StructureSection load='5mxk' size='340' side='right'caption='[[5mxk]], [[Resolution|resolution]] 1.93&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5mxk]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MXK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5MXK 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]] 1.932&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=ZHA:~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide'>ZHA</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=5mxk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mxk OCA], [https://pdbe.org/5mxk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5mxk RCSB], [https://www.ebi.ac.uk/pdbsum/5mxk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5mxk ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref> 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Native nanoelectrospray ionization mass spectrometry is an underutilized technique for fragment screening. In this study, the first demonstration is provided of the use of native mass spectrometry for screening fragments against a protein-DNA interaction. EthR is a transcriptional repressor of EthA expression in Mycobacterium tuberculosis (Mtb) that reduces the efficacy of ethionamide, a second-line antitubercular drug used to combat multidrug-resistant Mtb strains. A small-scale fragment screening campaign was conducted against the EthR-DNA interaction using native mass spectrometry, and the results were compared with those from differential scanning fluorimetry, a commonly used primary screening technique. Hits were validated by surface plasmon resonance and X-ray crystallography. The screening campaign identified two new fragments that disrupt the EthR-DNA interaction in vitro (IC50 =460-610 mum) and bind to the hydrophobic channel of the EthR dimer.

Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry.,Chan DS, Mendes V, Thomas SE, McConnell BN, Matak-Vinkovic D, Coyne AG, Blundell TL, Abell C Angew Chem Int Ed Engl. 2017 Jun 19;56(26):7488-7491. doi:, 10.1002/anie.201702888. Epub 2017 May 31. PMID:28513917<ref>PMID:28513917</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5mxk" style="background-color:#fffaf0;"></div>

==See Also==
*[[Tetracycline repressor protein 3D structures|Tetracycline repressor protein 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Mycobacterium tuberculosis H37Rv]]
[[Category: Abell C]]
[[Category: Blundell TL]]
[[Category: Chan DS-H]]
[[Category: Coyne AG]]
[[Category: Matak-Vinkovic D]]
[[Category: McConnell B]]
[[Category: Mendes V]]
[[Category: Thomas SE]]