3tqu - Revision history

OCA at 13:36, 14 March 2024

OCA — Thu, 14 Mar 2024 13:36:46 GMT

←Older revision		Revision as of 13:36, 14 March 2024
Line 10:		Line 10:
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/IXTPA_COXBU IXTPA_COXBU] Pyrophosphatase that catalyzes the hydrolysis of nucleoside triphosphates to their monophosphate derivatives, with a high preference for the non-canonical purine nucleotides XTP (xanthosine triphosphate), dITP (deoxyinosine triphosphate) and ITP. Seems to function as a house-cleaning enzyme that removes non-canonical purine nucleotides from the nucleotide pool, thus preventing their incorporation into DNA/RNA and avoiding chromosomal lesions.[HAMAP-Rule:MF_01405]		[https://www.uniprot.org/uniprot/IXTPA_COXBU IXTPA_COXBU] Pyrophosphatase that catalyzes the hydrolysis of nucleoside triphosphates to their monophosphate derivatives, with a high preference for the non-canonical purine nucleotides XTP (xanthosine triphosphate), dITP (deoxyinosine triphosphate) and ITP. Seems to function as a house-cleaning enzyme that removes non-canonical purine nucleotides from the nucleotide pool, thus preventing their incorporation into DNA/RNA and avoiding chromosomal lesions.[HAMAP-Rule:MF_01405]
-	<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 3tqu" style="background-color:#fffaf0;"></div>
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 08:16, 6 December 2023

OCA — Wed, 06 Dec 2023 08:16:48 GMT

←Older revision		Revision as of 08:16, 6 December 2023
Line 3:		Line 3:
	<StructureSection load='3tqu' size='340' side='right'caption='[[3tqu]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3tqu' size='340' side='right'caption='[[3tqu]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3tqu]] is a 4 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=3TQU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TQU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3tqu]] is a 4 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=3TQU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TQU FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>~~, ~~<scene name='pdbligand=EDO:~~1~~,2-ETHANEDIOL'>EDO</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='~~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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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_0043 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227377 COXBU])</td></tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks~~'>[https://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </~~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=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [https://pdbe.org/3tqu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [https://www.ebi.ac.uk/pdbsum/3tqu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tqu 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=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [https://pdbe.org/3tqu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [https://www.ebi.ac.uk/pdbsum/3tqu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tqu ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/~~NTPA_COXBU NTPA_COXBU]~~] Pyrophosphatase that ~~hydrolyzes~~ non-canonical purine nucleotides ~~such as~~ XTP and ITP~~/dITP~~ to ~~their respective monophosphate derivatives. Might exclude~~ non-canonical ~~purines~~ from ~~DNA precursor~~ pool, thus preventing their incorporation into DNA and avoiding chromosomal lesions ~~(By similarity)~~.	+	[https://www.uniprot.org/uniprot/IXTPA_COXBU IXTPA_COXBU] Pyrophosphatase that catalyzes the hydrolysis of nucleoside triphosphates to their monophosphate derivatives, with a high preference for the non-canonical purine nucleotides XTP (xanthosine triphosphate), dITP (deoxyinosine triphosphate) and ITP. Seems to function as a house-cleaning enzyme that removes non-canonical purine nucleotides from the nucleotide pool, thus preventing their incorporation into DNA/RNA and avoiding chromosomal lesions.[HAMAP-Rule:MF_01405]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Coxbu~~]]	+	[[Category: Coxiella burnetii RSA 493]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Nucleoside-triphosphate diphosphatase]]~~	+	[[Category: Burshteyn F]]
-	[[Category: Burshteyn, F]]	+	[[Category: Cassidy M]]
-	[[Category: Cassidy, M]]	+	[[Category: Cheung J]]
-	[[Category: Cheung, J]]	+	[[Category: Franklin MC]]
-	[[Category: Franklin~~, M C~~]]	+	[[Category: Gary E]]
-	[[Category: Gary, E]]	+	[[Category: Love J]]
-	[[Category: Love, J]]	+	[[Category: Rudolph M]]
-	[[Category: Rudolph, M]]	+
-	~~[[Category: Ham1 protein]]~~	+
-	~~[[Category: Hydrolase~~]]	+

OCA at 17:09, 6 July 2022

OCA — Wed, 06 Jul 2022 17:09:21 GMT

←Older revision		Revision as of 17:09, 6 July 2022
Line 1:		Line 1:
		+
	==Structure of a HAM1 protein from Coxiella burnetii==		==Structure of a HAM1 protein from Coxiella burnetii==
-	<StructureSection load='3tqu' size='340' side='right' caption='[[3tqu]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='3tqu' size='340' side='right'caption='[[3tqu]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3tqu]] is a 4 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=3TQU OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3TQU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3tqu]] is a 4 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=3TQU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TQU FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></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='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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_0043 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227377 COXBU])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_0043 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227377 COXBU])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </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=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [~~http~~://pdbe.org/3tqu PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3tqu 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=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [https://pdbe.org/3tqu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [https://www.ebi.ac.uk/pdbsum/3tqu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tqu ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/NTPA_COXBU NTPA_COXBU]] Pyrophosphatase that hydrolyzes non-canonical purine nucleotides such as XTP and ITP/dITP to their respective monophosphate derivatives. Might exclude non-canonical purines from DNA precursor pool, thus preventing their incorporation into DNA and avoiding chromosomal lesions (By similarity).	+	[[https://www.uniprot.org/uniprot/NTPA_COXBU NTPA_COXBU]] Pyrophosphatase that hydrolyzes non-canonical purine nucleotides such as XTP and ITP/dITP to their respective monophosphate derivatives. Might exclude non-canonical purines from DNA precursor pool, thus preventing their incorporation into DNA and avoiding chromosomal lesions (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Coxbu]]		[[Category: Coxbu]]
		+	[[Category: Large Structures]]
	[[Category: Nucleoside-triphosphate diphosphatase]]		[[Category: Nucleoside-triphosphate diphosphatase]]
	[[Category: Burshteyn, F]]		[[Category: Burshteyn, F]]

OCA at 18:34, 27 January 2016

OCA — Wed, 27 Jan 2016 18:34:43 GMT

←Older revision		Revision as of 18:34, 27 January 2016
Line 7:		Line 7:
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_0043 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227377 COXBU])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_0043 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227377 COXBU])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </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=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [http://www.ebi.ac.uk/pdbsum/3tqu 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=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [http://pdbe.org/3tqu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [http://www.ebi.ac.uk/pdbsum/3tqu 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 3tqu" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 06:42, 24 June 2015

OCA — Wed, 24 Jun 2015 06:42:40 GMT

←Older revision		Revision as of 06:42, 24 June 2015
Line 2:		Line 2:
	<StructureSection load='3tqu' size='340' side='right' caption='[[3tqu]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3tqu' size='340' side='right' caption='[[3tqu]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3tqu]] is a 4 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=3TQU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TQU FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3tqu]] is a 4 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=3TQU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TQU FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></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='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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_0043 ([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_0043 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227377 COXBU])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </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=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [http://www.ebi.ac.uk/pdbsum/3tqu 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=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [http://www.ebi.ac.uk/pdbsum/3tqu PDBsum]</span></td></tr>
Line 11:		Line 11:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/NTPA_COXBU NTPA_COXBU]] Pyrophosphatase that hydrolyzes non-canonical purine nucleotides such as XTP and ITP/dITP to their respective monophosphate derivatives. Might exclude non-canonical purines from DNA precursor pool, thus preventing their incorporation into DNA and avoiding chromosomal lesions (By similarity).		[[http://www.uniprot.org/uniprot/NTPA_COXBU NTPA_COXBU]] Pyrophosphatase that hydrolyzes non-canonical purine nucleotides such as XTP and ITP/dITP to their respective monophosphate derivatives. Might exclude non-canonical purines from DNA precursor pool, thus preventing their incorporation into DNA and avoiding chromosomal lesions (By similarity).
		+	<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>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Coxiella burnetii~~]]	+	[[Category: Coxbu]]
	[[Category: Nucleoside-triphosphate diphosphatase]]		[[Category: Nucleoside-triphosphate diphosphatase]]
	[[Category: Burshteyn, F]]		[[Category: Burshteyn, F]]
	[[Category: Cassidy, M]]		[[Category: Cassidy, M]]
	[[Category: Cheung, J]]		[[Category: Cheung, J]]
-	[[Category: Franklin, M]]	+	[[Category: Franklin, M C]]
	[[Category: Gary, E]]		[[Category: Gary, E]]
	[[Category: Love, J]]		[[Category: Love, J]]

OCA at 08:38, 24 December 2014

OCA — Wed, 24 Dec 2014 08:38:52 GMT

←Older revision		Revision as of 08:38, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3tqu]] is a 4 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=3TQU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TQU FirstGlance]. <br>		<table><tr><td colspan='2'>[[3tqu]] is a 4 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=3TQU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TQU FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
-	<tr><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='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><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_0043 ([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_0043 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=777 Coxiella burnetii])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </span></td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [http://www.ebi.ac.uk/pdbsum/3tqu 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=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [http://www.ebi.ac.uk/pdbsum/3tqu PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NTPA_COXBU NTPA_COXBU]] Pyrophosphatase that hydrolyzes non-canonical purine nucleotides such as XTP and ITP/dITP to their respective monophosphate derivatives. Might exclude non-canonical purines from DNA precursor pool, thus preventing their incorporation into DNA and avoiding chromosomal lesions (By similarity).
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Coxiella burnetii]]		[[Category: Coxiella burnetii]]
	[[Category: Nucleoside-triphosphate diphosphatase]]		[[Category: Nucleoside-triphosphate diphosphatase]]
-	[[Category: Burshteyn, F.]]	+	[[Category: Burshteyn, F]]
-	[[Category: Cassidy, M.]]	+	[[Category: Cassidy, M]]
-	[[Category: Cheung, J.]]	+	[[Category: Cheung, J]]
-	[[Category: Franklin, M.]]	+	[[Category: Franklin, M]]
-	[[Category: Gary, E.]]	+	[[Category: Gary, E]]
-	[[Category: Love, J.]]	+	[[Category: Love, J]]
-	[[Category: Rudolph, M.]]	+	[[Category: Rudolph, M]]
	[[Category: Ham1 protein]]		[[Category: Ham1 protein]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]

OCA at 05:58, 5 June 2014

OCA — Thu, 05 Jun 2014 05:58:22 GMT

←Older revision		Revision as of 05:58, 5 June 2014
Line 1:		Line 1:
-	~~[[Image:3tqu.jpg\|left\|200px]]~~	+	==Structure of a HAM1 protein from Coxiella burnetii==
-		+	<StructureSection load='3tqu' size='340' side='right' caption='[[3tqu]], [[Resolution\|resolution]] 1.90Å' scene=''>
-	~~<!--~~	+	== Structural highlights ==
-	~~The line below this paragraph, containing "STRUCTURE_3tqu", creates the "Structure Box" on the page.~~	+	<table><tr><td colspan='2'>[[3tqu]] is a 4 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=3TQU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TQU FirstGlance]. <br>
-	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~	+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene><br>
-	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~	+	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
-	~~or leave the SCENE parameter empty for the default display.~~	+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CBU_0043 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=777 Coxiella burnetii])</td></tr>
-	~~-->~~	+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nucleoside-triphosphate_diphosphatase Nucleoside-triphosphate diphosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.6.1.19 3.6.1.19] </span></td></tr>
-	~~{{STRUCTURE_3tqu\| PDB=3tqu \| SCENE= }}~~	+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3tqu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tqu OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tqu RCSB], [http://www.ebi.ac.uk/pdbsum/3tqu PDBsum]</span></td></tr>
-		+	<table>
-	===Structure of a HAM1 protein from Coxiella burnetii===	+	__TOC__
-		+	</StructureSection>
-		+
-	==~~About this Structure~~==	+
-	[[3tqu]] is a 4 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=3TQU OCA].	+
	[[Category: Coxiella burnetii]]		[[Category: Coxiella burnetii]]
	[[Category: Nucleoside-triphosphate diphosphatase]]		[[Category: Nucleoside-triphosphate diphosphatase]]

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

OCA — Wed, 21 Sep 2011 06:17:43 GMT

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

←Older revision

Revision as of 06:17, 21 September 2011