3tq8 - Revision history

OCA at 10:10, 1 March 2024

OCA — Fri, 01 Mar 2024 10:10:45 GMT

←Older revision		Revision as of 10:10, 1 March 2024
Line 3:		Line 3:
	<StructureSection load='3tq8' size='340' side='right'caption='[[3tq8]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3tq8' size='340' side='right'caption='[[3tq8]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3tq8]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"rickettsia_burneti"_(sic)_derrick_1939 "rickettsia burneti" (sic) derrick 1939~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TQ8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3tq8]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Coxiella_burnetii Coxiella burnetii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TQ8 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=NDP:NADPH+DIHYDRO~~-~~NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>~~, ~~<scene name='pdbligand=TOP:TRIMETHOPRIM'>TOP</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]] 1.9Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[3tq9\|3tq9]], [[3tqa\|3tqa]], [[3tqb\|3tqb]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=TOP:TRIMETHOPRIM'>TOP</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>CBU_1993, folA ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~777~~ "~~Rickettsia burneti~~" ~~(sic) Derrick 1939])</td~~><~~/tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[https://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3]~~ </~~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=3tq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tq8 OCA], [https://pdbe.org/3tq8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tq8 RCSB], [https://www.ebi.ac.uk/pdbsum/3tq8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tq8 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=3tq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tq8 OCA], [https://pdbe.org/3tq8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tq8 RCSB], [https://www.ebi.ac.uk/pdbsum/3tq8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tq8 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/Q83AB2_COXBU Q83AB2_COXBU]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.[PIRNR:PIRNR000194]	+	[https://www.uniprot.org/uniprot/Q83AB2_COXBU Q83AB2_COXBU] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.[PIRNR:PIRNR000194]
-	~~<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®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3tq8" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]		*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Dihydrofolate reductase~~]]	+	[[Category: Coxiella burnetii]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cassidy, M]]	+	[[Category: Cassidy M]]
-	[[Category: Franklin~~, M C~~]]	+	[[Category: Franklin MC]]
-	[[Category: Hillerich, B]]	+	[[Category: Hillerich B]]
-	[[Category: Love, J]]	+	[[Category: Love J]]
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex~~]]	+

OCA at 17:08, 6 July 2022

OCA — Wed, 06 Jul 2022 17:08:34 GMT

←Older revision		Revision as of 17:08, 6 July 2022
Line 1:		Line 1:
		+
	==Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim==		==Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim==
-	<StructureSection load='3tq8' size='340' side='right' caption='[[3tq8]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='3tq8' size='340' side='right'caption='[[3tq8]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3tq8]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"rickettsia_burneti"_(sic)_derrick_1939 "rickettsia burneti" (sic) derrick 1939]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3TQ8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3tq8]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/"rickettsia_burneti"_(sic)_derrick_1939 "rickettsia burneti" (sic) derrick 1939]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TQ8 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=TOP:TRIMETHOPRIM'>TOP</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=TOP:TRIMETHOPRIM'>TOP</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3tq9\|3tq9]], [[3tqa\|3tqa]], [[3tqb\|3tqb]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3tq9\|3tq9]], [[3tqa\|3tqa]], [[3tqb\|3tqb]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_1993, folA ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=777 "Rickettsia burneti" (sic) Derrick 1939])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_1993, folA ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=777 "Rickettsia burneti" (sic) Derrick 1939])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=3tq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tq8 OCA], [~~http~~://pdbe.org/3tq8 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3tq8 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3tq8 PDBsum]</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=3tq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tq8 OCA], [https://pdbe.org/3tq8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tq8 RCSB], [https://www.ebi.ac.uk/pdbsum/3tq8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tq8 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/Q83AB2_COXBU Q83AB2_COXBU]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.[PIRNR:PIRNR000194]	+	[[https://www.uniprot.org/uniprot/Q83AB2_COXBU Q83AB2_COXBU]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.[PIRNR:PIRNR000194]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 23:

	==See Also==		==See Also==
-	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]	+	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 28:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
		+	[[Category: Large Structures]]
	[[Category: Cassidy, M]]		[[Category: Cassidy, M]]
	[[Category: Franklin, M C]]		[[Category: Franklin, M C]]

OCA at 09:04, 20 January 2016

OCA — Wed, 20 Jan 2016 09:04:07 GMT

←Older revision		Revision as of 09:04, 20 January 2016
Line 7:		Line 7:
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_1993, folA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=777 "Rickettsia burneti" (sic) Derrick 1939])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_1993, folA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=777 "Rickettsia burneti" (sic) Derrick 1939])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=3tq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tq8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tq8 RCSB], [http://www.ebi.ac.uk/pdbsum/3tq8 PDBsum]</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=3tq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tq8 OCA], [http://pdbe.org/3tq8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3tq8 RCSB], [http://www.ebi.ac.uk/pdbsum/3tq8 PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3tq8" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 07:03, 24 June 2015

OCA — Wed, 24 Jun 2015 07:03:55 GMT

←Older revision		Revision as of 07:03, 24 June 2015
Line 2:		Line 2:
	<StructureSection load='3tq8' size='340' side='right' caption='[[3tq8]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3tq8' size='340' side='right' caption='[[3tq8]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3tq8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Coxiella_burnetii Coxiella burnetii~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TQ8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3tq8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"rickettsia_burneti"_(sic)_derrick_1939 "rickettsia burneti" (sic) derrick 1939]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TQ8 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=TOP:TRIMETHOPRIM'>TOP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=TOP:TRIMETHOPRIM'>TOP</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3tq9\|3tq9]], [[3tqa\|3tqa]], [[3tqb\|3tqb]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3tq9\|3tq9]], [[3tqa\|3tqa]], [[3tqb\|3tqb]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_1993, folA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=777 ~~Coxiella burnetii~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_1993, folA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=777 "Rickettsia burneti" (sic) Derrick 1939])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=3tq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tq8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tq8 RCSB], [http://www.ebi.ac.uk/pdbsum/3tq8 PDBsum]</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=3tq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tq8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tq8 RCSB], [http://www.ebi.ac.uk/pdbsum/3tq8 PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/Q83AB2_COXBU Q83AB2_COXBU]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.[PIRNR:PIRNR000194]
		+	<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®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

	==See Also==		==See Also==
	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]		*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Coxiella burnetii]]
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
	[[Category: Cassidy, M]]		[[Category: Cassidy, M]]

OCA at 14:52, 9 December 2014

OCA — Tue, 09 Dec 2014 14:52:18 GMT

←Older revision		Revision as of 14:52, 9 December 2014
Line 1:		Line 1:
-	~~[[Image:3tq8.png\|left\|200px]]~~	+	==Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim==
-		+	<StructureSection load='3tq8' size='340' side='right' caption='[[3tq8]], [[Resolution\|resolution]] 1.90Å' scene=''>
-	~~{{STRUCTURE_3tq8\| PDB=3tq8 \| SCENE= }}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[3tq8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Coxiella_burnetii Coxiella burnetii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TQ8 FirstGlance]. <br>
-	===Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim===	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=TOP:TRIMETHOPRIM'>TOP</scene></td></tr>
-		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3tq9\|3tq9]], [[3tqa\|3tqa]], [[3tqb\|3tqb]]</td></tr>
-		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_1993, folA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=777 Coxiella burnetii])</td></tr>
-	==~~About this Structure~~==	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>
-	[[3tq8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Coxiella_burnetii Coxiella burnetii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA].	+	<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=3tq8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tq8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tq8 RCSB], [http://www.ebi.ac.uk/pdbsum/3tq8 PDBsum]</span></td></tr>
		+	</table>

	==See Also==		==See Also==
	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]		*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
		+	__TOC__
		+	</StructureSection>
	[[Category: Coxiella burnetii]]		[[Category: Coxiella burnetii]]
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
-	[[Category: Cassidy, M.]]	+	[[Category: Cassidy, M]]
-	[[Category: Franklin, M C.]]	+	[[Category: Franklin, M C]]
-	[[Category: Hillerich, B.]]	+	[[Category: Hillerich, B]]
-	[[Category: Love, J~~.]]~~	+	[[Category: Love, J]]
-	~~[[Category: Dihydrofolate reductase~~]]	+
	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]		[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

OCA at 07:30, 20 October 2012

OCA — Sat, 20 Oct 2012 07:30:05 GMT

←Older revision		Revision as of 07:30, 20 October 2012
Line 7:		Line 7:

	==About this Structure==		==About this Structure==
-	[[3tq8]] is a 1 chain structure ~~of [[Dihydrofolate reductase]]~~ with sequence from [http://en.wikipedia.org/wiki/Coxiella_burnetii Coxiella burnetii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA].	+	[[3tq8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Coxiella_burnetii Coxiella burnetii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA].

	==See Also==		==See Also==

OCA at 16:31, 25 July 2012

OCA — Wed, 25 Jul 2012 16:31:13 GMT

←Older revision		Revision as of 16:31, 25 July 2012
Line 1:		Line 1:
-	[[Image:3tq8.~~jpg~~\|left\|200px]]	+	[[Image:3tq8.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3tq8", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_3tq8\| PDB=3tq8 \| SCENE= }}		{{STRUCTURE_3tq8\| PDB=3tq8 \| SCENE= }}

Line 13:		Line 7:

	==About this Structure==		==About this Structure==
-	[[3tq8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Coxiella_burnetii Coxiella burnetii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA].	+	[[3tq8]] is a 1 chain structure of [[Dihydrofolate reductase]] with sequence from [http://en.wikipedia.org/wiki/Coxiella_burnetii Coxiella burnetii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA].
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
	[[Category: Coxiella burnetii]]		[[Category: Coxiella burnetii]]
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]

OCA at 08:39, 2 November 2011

OCA — Wed, 02 Nov 2011 08:39:06 GMT

←Older revision		Revision as of 08:39, 2 November 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3tq8.jpg\|left\|200px]]

-	The ~~entry 3tq8~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3tq8", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3tq8\| PDB=3tq8 \| SCENE= }}

-	~~Authors: Franklin, M.C., Cassidy, M., Hillerich, B., Love, J.~~	+	===Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim===

-	~~Description:~~ Structure ~~of the dihydrofolate reductase (folA)~~ from Coxiella burnetii in complex ~~with trimethoprim~~	+
		+	==About this Structure==
		+	[[3tq8]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Coxiella_burnetii Coxiella burnetii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TQ8 OCA].
		+	[[Category: Coxiella burnetii]]
		+	[[Category: Dihydrofolate reductase]]
		+	[[Category: Cassidy, M.]]
		+	[[Category: Franklin, M C.]]
		+	[[Category: Hillerich, B.]]
		+	[[Category: Love, J.]]
		+	[[Category: Dihydrofolate reductase]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

OCA: Protected "3tq8" [edit=sysop:move=sysop]

OCA — Wed, 21 Sep 2011 05:32:14 GMT

Protected "3tq8" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:32, 21 September 2011

OCA: New page: '''Unreleased structure''' The entry 3tq8 is ON HOLD Authors: Franklin, M.C., Cassidy, M., Hillerich, B., Love, J. Description: Structure of the dihydrofolate reductase (folA) from Cox...

OCA — Wed, 21 Sep 2011 05:32:13 GMT

New page: '''Unreleased structure''' The entry 3tq8 is ON HOLD Authors: Franklin, M.C., Cassidy, M., Hillerich, B., Love, J. Description: Structure of the dihydrofolate reductase (folA) from Cox...

New page

'''Unreleased structure'''

The entry 3tq8 is ON HOLD

Authors: Franklin, M.C., Cassidy, M., Hillerich, B., Love, J.

Description: Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim