6g83: Difference between revisions

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==Crystal structure of M. tuberculosis DprE1 in complex with sPBTZ169 (sulfonylPBTZ)==
==Crystal structure of M. tuberculosis DprE1 in complex with sPBTZ169 (sulfonylPBTZ)==
<StructureSection load='6g83' size='340' side='right' caption='[[6g83]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
<StructureSection load='6g83' size='340' side='right'caption='[[6g83]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[6g83]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycto Mycto]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6G83 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6G83 FirstGlance]. <br>
<table><tr><td colspan='2'>[[6g83]] is a 2 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=6G83 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6G83 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EQ8:[2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium'>EQ8</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EQ8:[2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium'>EQ8</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4ncr|4ncr]]</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=6g83 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6g83 OCA], [https://pdbe.org/6g83 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6g83 RCSB], [https://www.ebi.ac.uk/pdbsum/6g83 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6g83 ProSAT]</span></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">dprE1, MT3898 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83331 MYCTO])</td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Decaprenylphospho-beta-D-ribofuranose_2-oxidase Decaprenylphospho-beta-D-ribofuranose 2-oxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.98.3 1.1.98.3] </span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6g83 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6g83 OCA], [http://pdbe.org/6g83 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6g83 RCSB], [http://www.ebi.ac.uk/pdbsum/6g83 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6g83 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://www.uniprot.org/uniprot/DPRE1_MYCTO DPRE1_MYCTO]] Component of the DprE1-DprE2 complex that catalyzes the 2-step epimerization of decaprenyl-phospho-ribose (DPR) to decaprenyl-phospho-arabinose (DPA), a key precursor that serves as the arabinose donor required for the synthesis of cell-wall arabinans. DprE1 catalyzes the first step of epimerization, namely FAD-dependent oxidation of the C2' hydroxyl of DPR to yield the keto intermediate decaprenyl-phospho-2'-keto-D-arabinose (DPX). The intermediate DPX is then transferred to DprE2 subunit of the epimerase complex, most probably through a 'substrate channel' at the interface of DprE1-DprE2 complex. Can also use farnesyl-phosphoryl-beta-D-ribofuranose (FPR) as substrate in vitro.[UniProtKB:P9WJF1]  DprE1 is a highly vulnerable and fully validated tuberculosis drug target.[UniProtKB:P9WJF1]
[https://www.uniprot.org/uniprot/DPRE1_MYCTU DPRE1_MYCTU] Involved in the epimerization of decaprenylphosphoryl ribose (DPR) to decaprenylphosphoryl arabinose (DPA) a precursor for arabinan synthesis in mycobacterial cell wall biosynthesis. Probably catalyzes the oxidation at C-2 of decaprenylphosphoryl ribose (DPR) to yield decaprenylphosphoryl 2-keto-ribose (DPX).<ref>PMID:16291675</ref>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Decaprenylphospho-beta-D-ribofuranose 2-oxidase]]
[[Category: Large Structures]]
[[Category: Mycto]]
[[Category: Mycobacterium tuberculosis H37Rv]]
[[Category: Cole, S T]]
[[Category: Cole ST]]
[[Category: Makarov, V]]
[[Category: Makarov V]]
[[Category: Piton, J]]
[[Category: Piton J]]
[[Category: Btz]]
[[Category: Complex]]
[[Category: Dpre1]]
[[Category: Inhibitor]]
[[Category: M. tuberculosis]]
[[Category: Oxidoreductase]]
Retrieved from "https://proteopedia.org/6g83"