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6aqq
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor== | |
| + | <StructureSection load='6aqq' size='340' side='right' caption='[[6aqq]], [[Resolution|resolution]] 2.71Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[6aqq]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6AQQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6AQQ FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BVY:(3aS,4S,6aR)-4-(5-{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}pentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one'>BVY</scene></td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Biotin--[acetyl-CoA-carboxylase]_ligase Biotin--[acetyl-CoA-carboxylase] ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.4.15 6.3.4.15] </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=6aqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6aqq OCA], [http://pdbe.org/6aqq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6aqq RCSB], [http://www.ebi.ac.uk/pdbsum/6aqq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6aqq ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [[http://www.uniprot.org/uniprot/A0A181HT70_STAAU A0A181HT70_STAAU]] Acts both as a biotin--[acetyl-CoA-carboxylase] ligase and a repressor.[HAMAP-Rule:MF_00978] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We report the synthesis and evaluation of 5-halogenated-1,2,3-triazoles as inhibitors of biotin protein ligase from Staphylococcus aureus. The halogenated compounds exhibit significantly improved antibacterial activity over their nonhalogenated counterparts. Importantly, the 5-fluoro-1,2,3-triazole compound 4c displays antibacterial activity against S. aureus ATCC49775 with a minimum inhibitory concentration (MIC) of 8 mug/mL. | ||
| - | + | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.,Paparella AS, Lee KJ, Hayes AJ, Feng J, Feng Z, Cini D, Deshmukh S, Booker GW, Wilce MCJ, Polyak SW, Abell AD ACS Infect Dis. 2017 Nov 16. doi: 10.1021/acsinfecdis.7b00134. PMID:29131575<ref>PMID:29131575</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| + | <div class="pdbe-citations 6aqq" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Cini, D A]] | ||
| + | [[Category: Wilce, M C.J]] | ||
| + | [[Category: Antibiotic]] | ||
| + | [[Category: Inhibitor]] | ||
| + | [[Category: Ligase]] | ||
Revision as of 06:18, 7 February 2018
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
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Categories: Cini, D A | Wilce, M C.J | Antibiotic | Inhibitor | Ligase
