6t0k: Difference between revisions

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<StructureSection load='6t0k' size='340' side='right'caption='[[6t0k]], [[Resolution|resolution]] 1.18&Aring;' scene=''>
<StructureSection load='6t0k' size='340' side='right'caption='[[6t0k]], [[Resolution|resolution]] 1.18&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[6t0k]] 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=6T0K OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6T0K FirstGlance]. <br>
<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6T0K OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6T0K FirstGlance]. <br>
</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=M65:ethyl+7-imidazol-1-ylheptanoate'>M65</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.18&#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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=M65:ethyl+7-imidazol-1-ylheptanoate'>M65</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=6t0k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t0k OCA], [https://pdbe.org/6t0k PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6t0k RCSB], [https://www.ebi.ac.uk/pdbsum/6t0k PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6t0k ProSAT]</span></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=6t0k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6t0k OCA], [https://pdbe.org/6t0k PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6t0k RCSB], [https://www.ebi.ac.uk/pdbsum/6t0k PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6t0k ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/CP124_MYCTU CP124_MYCTU]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Mycobacterium tuberculosis (Mtb) infection is among top ten causes of death worldwide, and the number of drug-resistant strains is increasing. The direct interception of human immune signaling molecules by Mtb remains elusive, limiting drug discovery. Oxysterols and secosteroids regulate both innate and adaptive immune responses. Here we report a functional, structural, and bioinformatics study of Mtb enzymes initiating cholesterol catabolism and demonstrated their interrelation with human immunity. We show that these enzymes metabolize human immune oxysterol messengers. Rv2266 - the most potent among them - can also metabolize vitamin D3 (VD3) derivatives. High-resolution structures show common patterns of sterols binding and reveal a site for oxidative attack during catalysis. Finally, we designed a compound that binds and inhibits three studied proteins. The compound shows activity against Mtb H37Rv residing in macrophages. Our findings contribute to molecular understanding of suppression of immunity and suggest that Mtb has its own transformation system resembling the human phase I drug-metabolizing system.
Metabolic fate of human immunoactive sterols in Mycobacterium tuberculosis.,Varaksa T, Bukhdruker S, Grabovec I, Marin E, Kavaleuski A, Gusach A, Kovalev K, Maslov I, Luginina A, Zabelskii D, Astashkin R, Shevtsov M, Smolskaya S, Kavaleuskaya A, Shabunya P, Baranovsky A, Dolgopalets V, Charnou Y, Savachka A, Litvinovskaya R, Hurski A, Shevchenko E, Rogachev A, Mishin A, Gordeliy V, Gabrielian A, Hurt DE, Nikonenko B, Majorov K, Apt A, Rosenthal A, Gilep A, Borshchevskiy V, Strushkevich N J Mol Biol. 2020 Dec 22:166763. doi: 10.1016/j.jmb.2020.166763. PMID:33359098<ref>PMID:33359098</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6t0k" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Mycobacterium tuberculosis H37Rv]]
[[Category: Borshchevskiy V]]
[[Category: Borshchevskiy V]]
[[Category: Bukhdruker S]]
[[Category: Bukhdruker S]]

Latest revision as of 18:39, 8 September 2026

Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole

6t0k, resolution 1.18Å

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