8evo: Difference between revisions

Line 1:

~~'''Unreleased structure'''~~

~~The entry~~ 8evo is ~~ON HOLD until Paper Publication~~

==Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitor FG2216==

~~Authors~~:

== Structural highlights ==

<table><tr><td colspan='2'>[[8evo]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8EVO OCA]. For a guided tour on the structure components use [https://proteopedia.org/fgij/fg.htm?mol=8EVO FirstGlance].

~~Description~~:

</td></tr><tr id='method'><td class="sblockLbl">[[Empirical_models|Method:]]</td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4Å</td></tr>

[[Category: ~~Unreleased~~ Structures]]

<tr id='ligand'><td class="sblockLbl">[[Ligand|Ligands:]]</td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=UN9:N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE'>UN9</scene></td></tr>

<tr id='resources'><td class="sblockLbl">Resources:</td><td class="sblockDat">[https://proteopedia.org/fgij/fg.htm?mol=8evo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8evo OCA], [https://pdbe.org/8evo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8evo RCSB], [https://www.ebi.ac.uk/pdbsum/8evo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8evo ProSAT]</td></tr>

</table>

== Function ==

[https://www.uniprot.org/uniprot/ATSK_MYCTU ATSK_MYCTU] Alpha-ketoglutarate-dependent sulfate ester dioxygenase, which oxidizes medium-chain alkyl-sulfate esters (PubMed:23762287). Shows preference for 2-ethylhexyl sulfate (2-EHS) in vitro, leading to the formation of succinate and 2-ethylhexanal (PubMed:23762287, PubMed:25427196). Has likely a role in sulfate scavenging in vivo (PubMed:23762287).<ref>PMID:23762287</ref> <ref>PMID:25427196</ref> Also causes the inactivation of the 2-carboxyquinoxaline Ty38c (an antitubercular compound that inhibits DprE1) via oxidative decarboxylation, using Ty38c instead of alpha-ketoglutarate as a substrate. Is thus responsible for primary resistance of M.tuberculosis to Ty38c in vitro. Overexpression of Rv3406 causes resistance to Ty38c.<ref>PMID:25427196</ref>

== References ==

__TOC__

</StructureSection>

[[Category: Large Structures]]

[[Category: Mycobacterium tuberculosis]]

[[Category: Juan T-J]]

[[Category: Leung I]]

[[Category: Squire CJ]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
-The entry 8evo is ON HOLD  until Paper Publication
+==Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitor FG2216==
+<StructureSection load='8evo' size='340' side='right'caption='[[8evo]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
-Authors:
+== Structural highlights ==
+<table><tr><td colspan='2'>[[8evo]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8EVO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8EVO FirstGlance]. <br>
-Description:
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4&#8491;</td></tr>
-[[Category: Unreleased Structures]]
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>, <scene name='pdbligand=UN9:N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE'>UN9</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=8evo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8evo OCA], [https://pdbe.org/8evo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8evo RCSB], [https://www.ebi.ac.uk/pdbsum/8evo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8evo ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/ATSK_MYCTU ATSK_MYCTU] Alpha-ketoglutarate-dependent sulfate ester dioxygenase, which oxidizes medium-chain alkyl-sulfate esters (PubMed:23762287). Shows preference for 2-ethylhexyl sulfate (2-EHS) in vitro, leading to the formation of succinate and 2-ethylhexanal (PubMed:23762287, PubMed:25427196). Has likely a role in sulfate scavenging in vivo (PubMed:23762287).<ref>PMID:23762287</ref> <ref>PMID:25427196</ref>   Also causes the inactivation of the 2-carboxyquinoxaline Ty38c (an antitubercular compound that inhibits DprE1) via oxidative decarboxylation, using Ty38c instead of alpha-ketoglutarate as a substrate. Is thus responsible for primary resistance of M.tuberculosis to Ty38c in vitro. Overexpression of Rv3406 causes resistance to Ty38c.<ref>PMID:25427196</ref>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Mycobacterium tuberculosis]]
+[[Category: Juan T-J]]
+[[Category: Leung I]]
+[[Category: Squire CJ]]