4muk - Revision history

OCA at 16:42, 20 September 2023

OCA — Wed, 20 Sep 2023 16:42:24 GMT

←Older revision		Revision as of 16:42, 20 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4muk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MUK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MUK FirstGlance]. <br>		<table><tr><td colspan='2'>[[4muk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MUK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MUK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2DV:[5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC+ACID'>2DV</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2DV:[5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC+ACID'>2DV</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</scene></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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [https://pdbe.org/4muk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [https://www.ebi.ac.uk/pdbsum/4muk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4muk 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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [https://pdbe.org/4muk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [https://www.ebi.ac.uk/pdbsum/4muk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4muk ProSAT]</span></td></tr>
	</table>		</table>

OCA at 10:10, 28 December 2022

OCA — Wed, 28 Dec 2022 10:10:38 GMT

←Older revision		Revision as of 10:10, 28 December 2022
Line 3:		Line 3:
	<StructureSection load='4muk' size='340' side='right'caption='[[4muk]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='4muk' size='340' side='right'caption='[[4muk]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4muk]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus~~ tuberculosis~~" (zopf 1883) klein 1884~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MUK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4MUK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4muk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MUK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MUK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2DV:[5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC+ACID'>2DV</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2DV:[5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC+ACID'>2DV</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mq6\|4mq6]], [[4mue\|4mue]], [[4muf\|4muf]], [[4mug\|4mug]], [[4muh\|4muh]], [[4mui\|4mui]], [[4mul\|4mul]], [[4mun\|4mun]]</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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [https://pdbe.org/4muk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [https://www.ebi.ac.uk/pdbsum/4muk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4muk ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MT3707, MTCY07H7B.20, panC, Rv3602c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantoate--beta-alanine_ligase Pantoate--beta-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.1 6.3.2.1] </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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [~~http~~://pdbe.org/4muk PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4muk PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4muk ProSAT]</span></td></tr>	+
	</table>		</table>
-	== Function ==
-	[[http://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU]] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Pantoate--beta-alanine ligase~~]]	+	[[Category: Mycobacterium tuberculosis]]
-	[[Category: Blundell~~, T L~~]]	+	[[Category: Blundell TL]]
-	[[Category: Silvestre~~, H L]]~~	+	[[Category: Silvestre HL]]
-	~~[[Category: Atp binding]]~~	+
-	~~[[Category: Ligase-ligase inhibitor complex]]~~	+
-	~~[[Category: Pantoate-ligase~~]]	+

OCA at 08:07, 10 April 2019

OCA — Wed, 10 Apr 2019 08:07:23 GMT

←Older revision		Revision as of 08:07, 10 April 2019
Line 1:		Line 1:

	==Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid==		==Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid==
-	<StructureSection load='4muk' size='340' side='right' caption='[[4muk]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='4muk' size='340' side='right'caption='[[4muk]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4muk]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MUK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MUK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4muk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MUK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MUK FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2DV:[5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC+ACID'>2DV</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2DV:[5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC+ACID'>2DV</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mq6\|4mq6]], [[4mue\|4mue]], [[4muf\|4muf]], [[4mug\|4mug]], [[4muh\|4muh]], [[4mui\|4mui]], [[4mul\|4mul]], [[4mun\|4mun]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mq6\|4mq6]], [[4mue\|4mue]], [[4muf\|4muf]], [[4mug\|4mug]], [[4muh\|4muh]], [[4mui\|4mui]], [[4mul\|4mul]], [[4mun\|4mun]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MT3707, MTCY07H7B.20, panC, Rv3602c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantoate--beta-alanine_ligase Pantoate--beta-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.1 6.3.2.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantoate--beta-alanine_ligase Pantoate--beta-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.1 6.3.2.1] </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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [http://pdbe.org/4muk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [http://www.ebi.ac.uk/pdbsum/4muk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4muk 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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [http://pdbe.org/4muk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [http://www.ebi.ac.uk/pdbsum/4muk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4muk ProSAT]</span></td></tr>
Line 27:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Pantoate--beta-alanine ligase]]		[[Category: Pantoate--beta-alanine ligase]]
	[[Category: Blundell, T L]]		[[Category: Blundell, T L]]

OCA at 11:02, 10 December 2016

OCA — Sat, 10 Dec 2016 11:02:42 GMT

←Older revision		Revision as of 11:02, 10 December 2016
Line 11:		Line 11:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU]] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>		[[http://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU]] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Ligand efficiency has proven to be a valuable concept for optimization of leads in the early stages of drug design. Taking this one step further, group efficiency (GE) evaluates the binding efficiency of each appendage of a molecule, further fine-tuning the drug design process. Here, GE analysis is used to systematically improve the potency of inhibitors of Mycobacterium tuberculosis pantothenate synthetase, an important target in tuberculosis therapy. Binding efficiencies were found to be distributed unevenly within a lead molecule derived using a fragment-based approach. Substitution of the less efficient parts of the molecule allowed systematic development of more potent compounds. This method of dissecting and analyzing different groups within a molecule offers a rational and general way of carrying out lead optimization, with potential broad application within drug discovery.
		+
		+	Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.,Hung AW, Silvestre HL, Wen S, George GP, Boland J, Blundell TL, Ciulli A, Abell C ChemMedChem. 2016 Jan 5;11(1):38-42. doi: 10.1002/cmdc.201500414. Epub 2015 Oct, 21. PMID:26486566<ref>PMID:26486566</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 4muk" style="background-color:#fffaf0;"></div>

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

OCA at 14:29, 4 August 2016

OCA — Thu, 04 Aug 2016 14:29:52 GMT

←Older revision		Revision as of 14:29, 4 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid==		==Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid==
	<StructureSection load='4muk' size='340' side='right' caption='[[4muk]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='4muk' size='340' side='right' caption='[[4muk]], [[Resolution\|resolution]] 1.90Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mq6\|4mq6]], [[4mue\|4mue]], [[4muf\|4muf]], [[4mug\|4mug]], [[4muh\|4muh]], [[4mui\|4mui]], [[4mul\|4mul]], [[4mun\|4mun]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mq6\|4mq6]], [[4mue\|4mue]], [[4muf\|4muf]], [[4mug\|4mug]], [[4muh\|4muh]], [[4mui\|4mui]], [[4mul\|4mul]], [[4mun\|4mun]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantoate--beta-alanine_ligase Pantoate--beta-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.1 6.3.2.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantoate--beta-alanine_ligase Pantoate--beta-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.1 6.3.2.1] </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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [http://www.ebi.ac.uk/pdbsum/4muk 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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [http://pdbe.org/4muk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [http://www.ebi.ac.uk/pdbsum/4muk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4muk ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU]] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>		[[http://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU]] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>
		+
		+	==See Also==
		+	*[[Pantothenate synthetase\|Pantothenate synthetase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 15:47, 24 December 2014

OCA — Wed, 24 Dec 2014 15:47:56 GMT

←Older revision		Revision as of 15:47, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4muk]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MUK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MUK FirstGlance]. <br>		<table><tr><td colspan='2'>[[4muk]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MUK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MUK FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2DV:[5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC+ACID'>2DV</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2DV:[5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC+ACID'>2DV</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mq6\|4mq6]], [[4mue\|4mue]], [[4muf\|4muf]], [[4mug\|4mug]], [[4muh\|4muh]], [[4mui\|4mui]], [[4mul\|4mul]], [[4mun\|4mun]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mq6\|4mq6]], [[4mue\|4mue]], [[4muf\|4muf]], [[4mug\|4mug]], [[4muh\|4muh]], [[4mui\|4mui]], [[4mul\|4mul]], [[4mun\|4mun]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantoate--beta-alanine_ligase Pantoate--beta-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.1 6.3.2.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantoate--beta-alanine_ligase Pantoate--beta-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.1 6.3.2.1] </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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [http://www.ebi.ac.uk/pdbsum/4muk 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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [http://www.ebi.ac.uk/pdbsum/4muk PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PANC_MYCTU PANC_MYCTU]] Catalyzes the condensation of pantoate with beta-alanine in an ATP-dependent reaction via a pantoyl-adenylate intermediate.<ref>PMID:11669627</ref>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Pantoate--beta-alanine ligase]]		[[Category: Pantoate--beta-alanine ligase]]
-	[[Category: Blundell, T L.]]	+	[[Category: Blundell, T L]]
-	[[Category: Silvestre, H L.]]	+	[[Category: Silvestre, H L]]
	[[Category: Atp binding]]		[[Category: Atp binding]]
	[[Category: Ligase-ligase inhibitor complex]]		[[Category: Ligase-ligase inhibitor complex]]
	[[Category: Pantoate-ligase]]		[[Category: Pantoate-ligase]]

OCA at 08:51, 27 August 2014

OCA — Wed, 27 Aug 2014 08:51:38 GMT

←Older revision		Revision as of 08:51, 27 August 2014
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	==Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid==
-		+	<StructureSection load='4muk' size='340' side='right' caption='[[4muk]], [[Resolution\|resolution]] 1.90Å' scene=''>
-	~~The entry 4muk is ON HOLD until Paper Publication~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4muk]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MUK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MUK FirstGlance]. <br>
-	~~Authors: Silvestre, H.L., Blundell, T.L.~~	+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2DV:[5-METHOXY-2-({[4-(TRIFLUOROMETHYL)BENZYL]SULFONYL}CARBAMOYL)-1H-INDOL-1-YL]ACETIC+ACID'>2DV</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EOH:ETHANOL'>EOH</scene><br>
-		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4mq6\|4mq6]], [[4mue\|4mue]], [[4muf\|4muf]], [[4mug\|4mug]], [[4muh\|4muh]], [[4mui\|4mui]], [[4mul\|4mul]], [[4mun\|4mun]]</td></tr>
-	~~Description:~~ Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid	+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pantoate--beta-alanine_ligase Pantoate--beta-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.1 6.3.2.1] </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=4muk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4muk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4muk RCSB], [http://www.ebi.ac.uk/pdbsum/4muk PDBsum]</span></td></tr>
		+	<table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Pantoate--beta-alanine ligase]]
		+	[[Category: Blundell, T L.]]
		+	[[Category: Silvestre, H L.]]
		+	[[Category: Atp binding]]
		+	[[Category: Ligase-ligase inhibitor complex]]
		+	[[Category: Pantoate-ligase]]

OCA at 05:48, 10 October 2013

OCA — Thu, 10 Oct 2013 05:48:00 GMT

←Older revision		Revision as of 05:48, 10 October 2013
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4muk is ON HOLD	+	The entry 4muk is ON HOLD until Paper Publication

	Authors: Silvestre, H.L., Blundell, T.L.		Authors: Silvestre, H.L., Blundell, T.L.

	Description: Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid		Description: Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid

OCA: Protected "4muk" [edit=sysop:move=sysop]

OCA — Wed, 02 Oct 2013 06:54:55 GMT

Protected "4muk" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:54, 2 October 2013

OCA: New page: '''Unreleased structure''' The entry 4muk is ON HOLD Authors: Silvestre, H.L., Blundell, T.L. Description: Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(...

OCA — Wed, 02 Oct 2013 06:54:51 GMT

New page: '''Unreleased structure''' The entry 4muk is ON HOLD Authors: Silvestre, H.L., Blundell, T.L. Description: Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(...

New page

'''Unreleased structure'''

The entry 4muk is ON HOLD

Authors: Silvestre, H.L., Blundell, T.L.

Description: Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)benzylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid