8ou8
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue== | |
| + | <StructureSection load='8ou8' size='340' side='right'caption='[[8ou8]], [[Resolution|resolution]] 2.05Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[8ou8]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_IAI1 Escherichia coli IAI1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8OU8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8OU8 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]] 2.05Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=W0U:[(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic+acid'>W0U</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8ou8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8ou8 OCA], [https://pdbe.org/8ou8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8ou8 RCSB], [https://www.ebi.ac.uk/pdbsum/8ou8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8ou8 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/SYT_ECO8A SYT_ECO8A] Catalyzes the attachment of threonine to tRNA(Thr) in a two-step reaction: L-threonine is first activated by ATP to form Thr-AMP and then transferred to the acceptor end of tRNA(Thr). Also edits incorrectly charged L-seryl-tRNA(Thr).[HAMAP-Rule:MF_00184] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | An analogue of a toxic moiety (TM84) of natural product agrocin 84 containing threonine amide instead of 2,3-dihydroxy-4-methylpentanamide was prepared and evaluated as a putative Plasmodium falciparum threonyl t-RNA synthetase (PfThrRS) inhibitor. This TM84 analogue features submicromolar inhibitory potency (IC(50) = 440 nM) comparable to that of borrelidin (IC(50) = 43 nM) and therefore complements chemotypes known to inhibit malarial PfThrRS, which are currently limited to borrelidin and its analogues. The crystal structure of the inhibitor in complex with the E. coli homologue enzyme (EcThrRS) was obtained, revealing crucial ligand-protein interactions that will pave the way for the design of novel ThrRS inhibitors. | ||
| - | + | Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor.,Buitrago JAR, Leitis G, Kanepe-Lapsa I, Rudnickiha A, Parisini E, Jirgensons A Org Biomol Chem. 2023 Jul 5;21(26):5433-5439. doi: 10.1039/d3ob00670k. PMID:37335076<ref>PMID:37335076</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| + | <div class="pdbe-citations 8ou8" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Escherichia coli IAI1]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Aigars J]] | ||
| + | [[Category: Parisini E]] | ||
| + | [[Category: Rodriguez Buitrago JA]] | ||
Current revision
Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue
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