View source for 3ttz


==Crystal structure of a topoisomerase ATPase inhibitor==
<StructureSection load='3ttz' size='340' side='right'caption='[[3ttz]], [[Resolution|resolution]] 1.63&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3ttz]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TTZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TTZ FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=07N:2-[(3S,4R)-4-{[(3,4-DICHLORO-5-METHYL-1H-PYRROL-2-YL)CARBONYL]AMINO}-3-FLUOROPIPERIDIN-1-YL]-1,3-THIAZOLE-5-CARBOXYLIC+ACID'>07N</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3u2d|3u2d]], [[3u2k|3u2k]]</div></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">gyrB ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/DNA_topoisomerase_(ATP-hydrolyzing) DNA topoisomerase (ATP-hydrolyzing)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.99.1.3 5.99.1.3] </span></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=3ttz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ttz OCA], [https://pdbe.org/3ttz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ttz RCSB], [https://www.ebi.ac.uk/pdbsum/3ttz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ttz ProSAT]</span></td></tr>
</table>
== Function ==
[[https://www.uniprot.org/uniprot/GYRB_STAAU GYRB_STAAU]] DNA gyrase negatively supercoils closed circular double-stranded DNA in an ATP-dependent manner and also catalyzes the interconversion of other topological isomers of double-stranded DNA rings, including catenanes and knotted rings.[HAMAP-Rule:MF_01898] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The pyrrolamides are a new class of antibacterial agents targeting DNA gyrase, an essential enzyme across bacterial species and inhibition results in the disruption of DNA synthesis and subsequently, cell death. The optimization of biochemical activity and other drug-like properties through substitutions to the pyrrole, piperidine, and heterocycle portions of the molecule resulted in pyrrolamides with improved cellular activity and in vivo efficacy.

Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.,Sherer BA, Hull K, Green O, Basarab G, Hauck S, Hill P, Loch JT 3rd, Mullen G, Bist S, Bryant J, Boriack-Sjodin A, Read J, Degrace N, Uria-Nickelsen M, Illingworth RN, Eakin AE Bioorg Med Chem Lett. 2011 Oct 12. PMID:22041057<ref>PMID:22041057</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3ttz" style="background-color:#fffaf0;"></div>

==See Also==
*[[Gyrase 3D Structures|Gyrase 3D Structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Boriack-Sjodin, P A]]
[[Category: Eakin, A E]]
[[Category: Read, J]]
[[Category: Sherer, B A]]
[[Category: Antimicrobial]]
[[Category: Atp-binding]]
[[Category: Isomerase-isomerase inhibitor complex]]
[[Category: Protein-inhibitor complex]]
[[Category: Structure-based drug design]]