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<StructureSection load='3tqt' size='340' side='right'caption='[[3tqt]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
<StructureSection load='3tqt' size='340' side='right'caption='[[3tqt]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3tqt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Coxbu Coxbu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TQT FirstGlance]. <br>
<table><tr><td colspan='2'>[[3tqt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Coxiella_burnetii_RSA_493 Coxiella burnetii RSA 493]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TQT FirstGlance]. <br>
</td></tr><tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ddl, CBU_1338 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227377 COXBU])</td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.88&#8491;</td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/D-alanine--D-alanine_ligase D-alanine--D-alanine ligase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.4 6.3.2.4] </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=3tqt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqt OCA], [https://pdbe.org/3tqt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tqt RCSB], [https://www.ebi.ac.uk/pdbsum/3tqt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tqt ProSAT]</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=3tqt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqt OCA], [https://pdbe.org/3tqt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tqt RCSB], [https://www.ebi.ac.uk/pdbsum/3tqt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tqt ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[https://www.uniprot.org/uniprot/DDL_COXBU DDL_COXBU]] Cell wall formation.[HAMAP-Rule:MF_00047]  
[https://www.uniprot.org/uniprot/DDL_COXBU DDL_COXBU] Cell wall formation.[HAMAP-Rule:MF_00047]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Coxiella burnetii is a highly infectious bacterium and potential agent of bioterrorism. However, it has not been studied as extensively as other biological agents, and very few of its proteins have been structurally characterized. To address this situation, we undertook a study of critical metabolic enzymes in C. burnetii that have great potential as drug targets. We used high-throughput techniques to produce novel crystal structures of 48 of these proteins. We selected one protein, C. burnetii dihydrofolate reductase (CbDHFR), for additional work to demonstrate the value of these structures for structure-based drug design. This enzyme's structure reveals a feature in the substrate binding groove that is different between CbDHFR and human dihydrofolate reductase (hDFHR). We then identified a compound by in silico screening that exploits this binding groove difference, and demonstrated that this compound inhibits CbDHFR with at least 25-fold greater potency than hDHFR. Since this binding groove feature is shared by many other prokaryotes, the compound identified could form the basis of a novel antibacterial agent effective against a broad spectrum of pathogenic bacteria. This article is protected by copyright. All rights reserved.
 
Structural Genomics for Drug Design against the Pathogen Coxiella burnetii.,Franklin MC, Cheung J, Rudolph MJ, Burshteyn F, Cassidy M, Gary E, Hillerich B, Yao ZK, Carlier PR, Totrov M, Love JD Proteins. 2015 Jun 1. doi: 10.1002/prot.24841. PMID:26033498<ref>PMID:26033498</ref>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3tqt" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[D-alanine-D-alanine ligase 3D structures|D-alanine-D-alanine ligase 3D structures]]
*[[D-alanine-D-alanine ligase 3D structures|D-alanine-D-alanine ligase 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Coxbu]]
[[Category: Coxiella burnetii RSA 493]]
[[Category: D-alanine--D-alanine ligase]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Burshteyn, F]]
[[Category: Burshteyn F]]
[[Category: Cassidy, M]]
[[Category: Cassidy M]]
[[Category: Cheung, J]]
[[Category: Cheung J]]
[[Category: Franklin, M C]]
[[Category: Franklin MC]]
[[Category: Gary, E]]
[[Category: Gary E]]
[[Category: Love, J]]
[[Category: Love J]]
[[Category: Rudolph, M]]
[[Category: Rudolph M]]
[[Category: Cell envelope]]
[[Category: Ligase]]

Latest revision as of 10:10, 1 March 2024

Structure of the D-alanine-D-alanine ligase from Coxiella burnetii

3tqt, resolution 1.88Å

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