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| | ==Structure of an inorganic pyrophosphatase (ppa) from Coxiella burnetii== | | ==Structure of an inorganic pyrophosphatase (ppa) from Coxiella burnetii== |
| - | <StructureSection load='3tr4' size='340' side='right' caption='[[3tr4]], [[Resolution|resolution]] 2.00Å' scene=''> | + | <StructureSection load='3tr4' size='340' side='right'caption='[[3tr4]], [[Resolution|resolution]] 2.00Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[3tr4]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Coxbu Coxbu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TR4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TR4 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[3tr4]] is a 6 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=3TR4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TR4 FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></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]] 2Å</td></tr> |
| - | <tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr> | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr> |
| - | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CBU_0628, ppa ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227377 COXBU])</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=3tr4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tr4 OCA], [https://pdbe.org/3tr4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tr4 RCSB], [https://www.ebi.ac.uk/pdbsum/3tr4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tr4 ProSAT]</span></td></tr> |
| - | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Inorganic_diphosphatase Inorganic diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.1 3.6.1.1] </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=3tr4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tr4 OCA], [http://pdbe.org/3tr4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3tr4 RCSB], [http://www.ebi.ac.uk/pdbsum/3tr4 PDBsum]</span></td></tr> | + | |
| | </table> | | </table> |
| | + | == Function == |
| | + | [https://www.uniprot.org/uniprot/Q83DR7_COXBU Q83DR7_COXBU] |
| | <div style="background-color:#fffaf0;"> | | <div style="background-color:#fffaf0;"> |
| | == Publication Abstract from PubMed == | | == Publication Abstract from PubMed == |
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| | ==See Also== | | ==See Also== |
| - | *[[Inorganic pyrophosphatase|Inorganic pyrophosphatase]] | + | *[[Inorganic pyrophosphatase 3D structures|Inorganic pyrophosphatase 3D structures]] |
| | == References == | | == References == |
| | <references/> | | <references/> |
| | __TOC__ | | __TOC__ |
| | </StructureSection> | | </StructureSection> |
| - | [[Category: Coxbu]] | + | [[Category: Coxiella burnetii RSA 493]] |
| - | [[Category: Inorganic diphosphatase]] | + | [[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: Central intermediary metabolism]]
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| - | [[Category: Hydrolase]]
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| Structural highlights
Function
Q83DR7_COXBU
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[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Franklin MC, Cheung J, Rudolph MJ, Burshteyn F, Cassidy M, Gary E, Hillerich B, Yao ZK, Carlier PR, Totrov M, Love JD. Structural Genomics for Drug Design against the Pathogen Coxiella burnetii. Proteins. 2015 Jun 1. doi: 10.1002/prot.24841. PMID:26033498 doi:http://dx.doi.org/10.1002/prot.24841
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