4hws

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==Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor==
==Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor==
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<StructureSection load='4hws' size='340' side='right' caption='[[4hws]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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<StructureSection load='4hws' size='340' side='right'caption='[[4hws]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4hws]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_k-12 Escherichia coli k-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HWS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HWS FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4hws]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HWS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4HWS FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1B3:N-{[3-(4-AMINO-2-CHLOROQUINAZOLIN-7-YL)PHENYL]SULFONYL}-L-THREONINAMIDE'>1B3</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.7&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4hwo|4hwo]], [[4hwp|4hwp]], [[4hwr|4hwr]], [[4hwt|4hwt]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1B3:N-{[3-(4-AMINO-2-CHLOROQUINAZOLIN-7-YL)PHENYL]SULFONYL}-L-THREONINAMIDE'>1B3</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">thrS, b1719, JW1709 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 Escherichia coli K-12])</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=4hws FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hws OCA], [https://pdbe.org/4hws PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4hws RCSB], [https://www.ebi.ac.uk/pdbsum/4hws PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4hws ProSAT]</span></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Threonine--tRNA_ligase Threonine--tRNA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.1.1.3 6.1.1.3] </span></td></tr>
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<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=4hws FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hws OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hws RCSB], [http://www.ebi.ac.uk/pdbsum/4hws PDBsum]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/SYT_ECOLI SYT_ECOLI]] ThrS is also a translational repressor protein, it controls the translation of its own gene by binding to its mRNA.[HAMAP-Rule:MF_00184]
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[https://www.uniprot.org/uniprot/SYT_ECOLI SYT_ECOLI] ThrS is also a translational repressor protein, it controls the translation of its own gene by binding to its mRNA.[HAMAP-Rule:MF_00184]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A series of potent and bacteria-selective threonyl-tRNA synthetase (ThrRS) inhibitors have been identified using structure-based drug design. These compounds occupied the substrate binding site of ThrRS and showed excellent binding affinities for all of the bacterial orthologues tested. Some of the compounds displayed greatly improved bacterial selectivity. Key residues responsible for potency and bacteria/human ThrRS selectivity have been identified. Antimicrobial activity has been achieved against wild-type Haemophilus influenzae and efflux-deficient mutants of Escherichia coli and Burkholderia thailandensis.
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Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.,Teng M, Hilgers MT, Cunningham ML, Borchardt A, Locke JB, Abraham S, Haley G, Kwan BP, Hall C, Hough GW, Shaw KJ, Finn J J Med Chem. 2013 Feb 28;56(4):1748-60. doi: 10.1021/jm301756m. Epub 2013 Feb 12. PMID:23362938<ref>PMID:23362938</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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==See Also==
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</div>
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*[[Aminoacyl tRNA synthetase 3D structures|Aminoacyl tRNA synthetase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Escherichia coli k-12]]
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[[Category: Escherichia coli K-12]]
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[[Category: Threonine--tRNA ligase]]
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[[Category: Large Structures]]
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[[Category: Hilgers, M T]]
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[[Category: Hilgers MT]]
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[[Category: Aminoacyl-trna synthetase]]
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[[Category: Antibacterial]]
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[[Category: Ligase-ligase inhibitor complex]]
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[[Category: Protein-inhibitor complex]]
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Current revision

Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor

PDB ID 4hws

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