7sxq

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'''Unreleased structure'''
 
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The entry 7sxq is ON HOLD until 2023-11-23
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==Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag==
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<StructureSection load='7sxq' size='340' side='right'caption='[[7sxq]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[7sxq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum_3D7 Plasmodium falciparum 3D7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7SXQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7SXQ FirstGlance]. <br>
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</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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=7sxq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7sxq OCA], [https://pdbe.org/7sxq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7sxq RCSB], [https://www.ebi.ac.uk/pdbsum/7sxq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7sxq ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q8ILY1_PLAF7 Q8ILY1_PLAF7]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Malaria is caused by the parasite Plasmodium falciparum, which contains an essential non-photosynthetic plastid called the apicoplast. A single DNA polymerase, apPOL, is targeted to the apicoplast, where it replicates and repairs the genome. apPOL has no direct orthologs in mammals and is considered a promising drug target for the treatment and/or prevention of malaria. We previously reported screening the Malaria Box to identify MMV666123 as an inhibitor of apPOL. Herein we extend our studies and report structure-activity relationships for MMV666123 and identify key structural motifs necessary for inhibition. Although attempts to crystallize apPOL with the inhibitor were not fruitful, kinetic analysis and crystal structure determinations of WT and mutant apo-enzymes, facilitated model building and provided insights into the putative inhibitor binding site. Our results validate apPOL as an antimalarial target and provide an avenue for the design of high potency, specific inhibitors of apPOL and other A-family DNA polymerases.
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Authors: Nieto, N., Chheda, P., Kerns, R., Nelson, S., Honzatko, R.
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Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum.,Chheda PR, Nieto N, Kaur S, Beck JM, Beck JR, Honzatko R, Kerns RJ, Nelson SW Eur J Med Chem. 2022 Sep 10;243:114751. doi: 10.1016/j.ejmech.2022.114751. PMID:36191407<ref>PMID:36191407</ref>
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Description: Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Chheda, P]]
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<div class="pdbe-citations 7sxq" style="background-color:#fffaf0;"></div>
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[[Category: Nelson, S]]
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== References ==
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[[Category: Honzatko, R]]
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<references/>
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[[Category: Kerns, R]]
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__TOC__
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[[Category: Nieto, N]]
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Plasmodium falciparum 3D7]]
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[[Category: Chheda P]]
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[[Category: Honzatko R]]
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[[Category: Kerns R]]
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[[Category: Nelson S]]
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[[Category: Nieto N]]

Revision as of 19:19, 19 October 2022

Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag

PDB ID 7sxq

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