5u11 - Revision history

OCA at 13:18, 4 October 2023

OCA — Wed, 04 Oct 2023 13:18:05 GMT

←Older revision		Revision as of 13:18, 4 October 2023
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	==E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide==		==E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide==
-	<StructureSection load='5u11' size='340' side='right' caption='[[5u11]], [[Resolution\|resolution]] 1.99Å' scene=''>	+	<StructureSection load='5u11' size='340' side='right'caption='[[5u11]], [[Resolution\|resolution]] 1.99Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5u11]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Ecol6 Ecol6~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5U11 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5U11 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5u11]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_CFT073 Escherichia coli CFT073]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5U11 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5U11 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat"~~><scene name='pdbligand=7PS:2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide'>7PS</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]] 1.994Å</td></tr>
-	~~<tr~~ id~~='related'><td class~~="~~sblockLbl~~">~~<b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5u0v\|5u0v]]~~, [[~~5u0w~~\|~~5u0w]], [[5u0x\|5u0x]], [[5u0y\|5u0y]], [[5u0z\|5u0z]], [[5u10\|5u10]], [[5u12\|5u12]], [[5u13\|5u13]], [[5u14\|5u14~~]]</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7PS:2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide'>7PS</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>folP, c3933 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id~~=199310 ECOL6])</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=5u11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5u11 OCA], [https://pdbe.org/5u11 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5u11 RCSB], [https://www.ebi.ac.uk/pdbsum/5u11 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5u11 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/Dihydropteroate_synthase Dihydropteroate synthase], with EC number~~ [~~http://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=2.5.1.15 2.5.1.15~~] </~~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=5u11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5u11 OCA], [~~http~~://pdbe.org/5u11 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5u11 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5u11 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5u11 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/~~DHPS_ECOL6 DHPS_ECOL6~~]~~] Catalyzes~~ the ~~condensation~~ of ~~para-aminobenzoate (pABA) with 6-hydroxymethyl-7,8-dihydropterin diphosphate (DHPt-PP) to form 7,8-dihydropteroate (H2Pte),~~ the immediate precursor of ~~folate derivatives~~.~~[UniProtKB~~:~~P0AC13]~~	+	[https://www.uniprot.org/uniprot/DHPS_ECOLI DHPS_ECOLI] DHPS catalyzes the formation of the immediate precursor of folic acid. It is implicated in resistance to sulfonamide.<ref>PMID:368012</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 5u11" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5u11" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dihydropteroate synthase 3D structures\|Dihydropteroate synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Dihydropteroate synthase~~]]	+	[[Category: Escherichia coli CFT073]]
-	[[Category: ~~Ecol6~~]]	+	[[Category: Large Structures]]
-	[[Category: Dennis~~, M L~~]]	+	[[Category: Dennis ML]]
-	[[Category: Peat~~, T S~~]]	+	[[Category: Peat TS]]
-	[[Category: Swarbrick~~, J D]]~~	+	[[Category: Swarbrick JD]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Dhp]]~~	+
-	~~[[Category: E. coli]]~~	+
-	~~[[Category: Pterin site]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 06:58, 15 February 2018

OCA — Thu, 15 Feb 2018 06:58:39 GMT

←Older revision		Revision as of 06:58, 15 February 2018
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	<StructureSection load='5u11' size='340' side='right' caption='[[5u11]], [[Resolution\|resolution]] 1.99Å' scene=''>		<StructureSection load='5u11' size='340' side='right' caption='[[5u11]], [[Resolution\|resolution]] 1.99Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5u11]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5U11 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5U11 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5u11]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Ecol6 Ecol6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5U11 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5U11 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PS:2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide'>7PS</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PS:2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide'>7PS</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5u0v\|5u0v]], [[5u0w\|5u0w]], [[5u0x\|5u0x]], [[5u0y\|5u0y]], [[5u0z\|5u0z]], [[5u10\|5u10]], [[5u12\|5u12]], [[5u13\|5u13]], [[5u14\|5u14]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5u0v\|5u0v]], [[5u0w\|5u0w]], [[5u0x\|5u0x]], [[5u0y\|5u0y]], [[5u0z\|5u0z]], [[5u10\|5u10]], [[5u12\|5u12]], [[5u13\|5u13]], [[5u14\|5u14]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folP, c3933 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=199310 ECOL6])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydropteroate_synthase Dihydropteroate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.15 2.5.1.15] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydropteroate_synthase Dihydropteroate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.15 2.5.1.15] </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=5u11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5u11 OCA], [http://pdbe.org/5u11 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5u11 RCSB], [http://www.ebi.ac.uk/pdbsum/5u11 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5u11 ProSAT]</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=5u11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5u11 OCA], [http://pdbe.org/5u11 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5u11 RCSB], [http://www.ebi.ac.uk/pdbsum/5u11 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5u11 ProSAT]</span></td></tr>
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	</StructureSection>		</StructureSection>
	[[Category: Dihydropteroate synthase]]		[[Category: Dihydropteroate synthase]]
		+	[[Category: Ecol6]]
	[[Category: Dennis, M L]]		[[Category: Dennis, M L]]
	[[Category: Peat, T S]]		[[Category: Peat, T S]]

OCA at 07:13, 6 December 2017

OCA — Wed, 06 Dec 2017 07:13:44 GMT

←Older revision		Revision as of 07:13, 6 December 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5u11 is ~~ON HOLD until Nov 27 2018~~	+	==E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide==
		+	<StructureSection load='5u11' size='340' side='right' caption='[[5u11]], [[Resolution\|resolution]] 1.99Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5u11]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5U11 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5U11 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PS:2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide'>7PS</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5u0v\|5u0v]], [[5u0w\|5u0w]], [[5u0x\|5u0x]], [[5u0y\|5u0y]], [[5u0z\|5u0z]], [[5u10\|5u10]], [[5u12\|5u12]], [[5u13\|5u13]], [[5u14\|5u14]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydropteroate_synthase Dihydropteroate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.15 2.5.1.15] </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=5u11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5u11 OCA], [http://pdbe.org/5u11 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5u11 RCSB], [http://www.ebi.ac.uk/pdbsum/5u11 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5u11 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/DHPS_ECOL6 DHPS_ECOL6]] Catalyzes the condensation of para-aminobenzoate (pABA) with 6-hydroxymethyl-7,8-dihydropterin diphosphate (DHPt-PP) to form 7,8-dihydropteroate (H2Pte), the immediate precursor of folate derivatives.[UniProtKB:P0AC13]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Dihydropteroate synthase (DHPS) is an enzyme of the folate biosynthesis pathway which catalyzes the formation of 7,8-dihydropteroate (DHPt) from 6-hydroxymethyl-7,8-dihydropterin pyrophosphate (DHPPP) and para-aminobenzoic acid (pABA). DHPS is the long-standing target of the sulfonamide class of antibiotics that compete with pABA. In the wake of sulfa drug resistance, targeting the structurally rigid (and more conserved) pterin site has been proposed as an alternate strategy to inhibit DHPS in wild-type and sulfa drug resistant strains. Following work developing pterin-site inhibitors of the adjacent enzyme 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (HPPK), we now present derivatives of 8-mercaptoguanine, a fragment that binds weakly within both enzymes, and quantify sub-muM binding using Surface Plasmon Resonance (SPR) to Escherichia coli DHPS (EcDHPS). Eleven ligand-bound EcDHPS crystal structures delineate the structure-activity relationship observed providing a structural framework for the rational development of novel, substrate envelope-compliant DHPS inhibitors.

-	~~Authors~~:	+	8-Mercaptoguanine derivatives as inhibitors of dihydropteroate synthase.,Swarbrick J, Dennis M, Lee M, Harjani J, Ahmed M, Debono A, Pitcher N, Wang ZC, Chhabra S, Barlow N, Rahmani R, Cleary B, Dolezal O, Hattarki M, Aurelio L, Shonberg J, Graham B, Peat T, Baell J Chemistry. 2017 Nov 24. doi: 10.1002/chem.201704730. PMID:29171692<ref>PMID:29171692</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5u11" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Dihydropteroate synthase]]
		+	[[Category: Dennis, M L]]
		+	[[Category: Peat, T S]]
		+	[[Category: Swarbrick, J D]]
		+	[[Category: Complex]]
		+	[[Category: Dhp]]
		+	[[Category: E. coli]]
		+	[[Category: Pterin site]]
		+	[[Category: Transferase-transferase inhibitor complex]]

OCA at 17:32, 15 December 2016

OCA — Thu, 15 Dec 2016 17:32:19 GMT

←Older revision		Revision as of 17:32, 15 December 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5u11 is ON HOLD	+	The entry 5u11 is ON HOLD until Nov 27 2018

	Authors:		Authors:

OCA: Protected "5u11" [edit=sysop:move=sysop]

OCA — Fri, 09 Dec 2016 18:10:02 GMT

Protected "5u11" [edit=sysop:move=sysop]

←Older revision

Revision as of 18:10, 9 December 2016

OCA: New page: '''Unreleased structure''' The entry 5u11 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Fri, 09 Dec 2016 18:10:01 GMT

New page: '''Unreleased structure''' The entry 5u11 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5u11 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]