6f96: Difference between revisions
New page: '''Unreleased structure''' The entry 6f96 is ON HOLD until Paper Publication Authors: Narramore, S.K., Stevenson, C.E.M., Lawson, D.M., Maxwell, A., Fishwick, C.W.G. Description: Cryst... |
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==Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(4-methoxyphenyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide== | |||
<StructureSection load='6f96' size='340' side='right'caption='[[6f96]], [[Resolution|resolution]] 2.50Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[6f96]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Eco57 Eco57]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6F96 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6F96 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D0K:6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide'>D0K</scene></td></tr> | |||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">gyrB, Z5190, ECs4634 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83334 ECO57])</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/DNA_topoisomerase_(ATP-hydrolyzing) DNA topoisomerase (ATP-hydrolyzing)], with EC number [http://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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6f96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6f96 OCA], [http://pdbe.org/6f96 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6f96 RCSB], [http://www.ebi.ac.uk/pdbsum/6f96 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6f96 ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[[http://www.uniprot.org/uniprot/GYRB_ECO57 GYRB_ECO57]] 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 == | |||
Previously we have reported on a series of pyridine-3-carboxamide inhibitors of DNA gyrase and DNA topoisomerase IV that were designed using a computational de novo design approach and which showed promising antibacterial properties. Herein we describe the synthesis of additional examples from this series aimed specifically at DNA gyrase, along with crystal structures confirming the predicted mode of binding and in vitro ADME data which describe the drug-likeness of these compounds. | |||
New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.,Narramore S, Stevenson CEM, Maxwell A, Lawson DM, Fishwick CWG Bioorg Med Chem. 2019 Jun 14. pii: S0968-0896(19)30414-6. doi:, 10.1016/j.bmc.2019.06.015. PMID:31257079<ref>PMID:31257079</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 6f96" style="background-color:#fffaf0;"></div> | ||
[[Category: | |||
==See Also== | |||
*[[Gyrase 3D Structures|Gyrase 3D Structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Eco57]] | |||
[[Category: Large Structures]] | |||
[[Category: Fishwick, C W.G]] | |||
[[Category: Lawson, D M]] | |||
[[Category: Maxwell, A]] | [[Category: Maxwell, A]] | ||
[[Category: | [[Category: Narramore, S K]] | ||
[[Category: | [[Category: Stevenson, C E.M]] | ||
[[Category: Binding site]] | |||
[[Category: Dna gyrase]] | |||
[[Category: Inhibitor]] | |||
[[Category: Isomerase]] | |||
[[Category: Pyridine-3-carboxamide]] | |||
[[Category: Topoisomerase iv]] | |||