4hwp: Difference between revisions

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-{{STRUCTURE_4hwp|  PDB=4hwp  |  SCENE=  }}
+==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===
+<StructureSection load='4hwp' size='340' side='right' caption='[[4hwp]], [[Resolution|resolution]] 1.81&Aring;' scene=''>
-{{ABSTRACT_PUBMED_23362938}}
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4hwp]] 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=4HWP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HWP FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=X16:N-{[3-(4-AMINO-2-METHYLQUINAZOLIN-7-YL)PHENYL]SULFONYL}-L-THREONINAMIDE'>X16</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4hwo|4hwo]], [[4hwr|4hwr]], [[4hws|4hws]], [[4hwt|4hwt]]</td></tr>
+<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>
+<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>
+<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=4hwp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hwp OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hwp RCSB], [http://www.ebi.ac.uk/pdbsum/4hwp PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+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.
-==Function==
+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>
-[[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]
-==About this Structure==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[4hwp]] 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=4HWP OCA].
+</div>
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:023362938</ref><references group="xtra"/><references/>
+__TOC__
+</StructureSection>
 [[Category: Escherichia coli k-12]]
 [[Category: Threonine--tRNA ligase]]
-[[Category: Hilgers, M T.]]
+[[Category: Hilgers, M T]]
 [[Category: Aminoacyl-trna synthetase]]
 [[Category: Antibacterial]]
 [[Category: Ligase-ligase inhibitor complex]]
 [[Category: Protein-inhibitor complex]]