2gp6 - Revision history

OCA at 09:29, 14 February 2024

OCA — Wed, 14 Feb 2024 09:29:03 GMT

←Older revision		Revision as of 09:29, 14 February 2024
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	<StructureSection load='2gp6' size='340' side='right'caption='[[2gp6]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='2gp6' size='340' side='right'caption='[[2gp6]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2gp6]] is a 2 chain structure with sequence from [https://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=2GP6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2GP6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2gp6]] 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=2GP6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2GP6 FirstGlance]. <br>
-	</td></tr><tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"~~><div style='overflow: auto; max-height: 3em;'>[[1kas\|1kas]], [[1j3n\|1j3n]], [[1e5m\|1e5m]]</div></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]] 2.4Å</td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~">~~<b>~~[[~~Gene~~\|~~Gene:~~]]~~</b></td><td class="sblockDat">kasB ([https://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'>[https://en.wikipedia.org/wiki/Beta-ketoacyl-[acyl-carrier-protein]_synthase_I Beta-ketoacyl-[acyl-carrier-protein] synthase I], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [https://pdbe.org/2gp6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [https://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2gp6 ProSAT], [https://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [https://pdbe.org/2gp6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [https://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2gp6 ProSAT], [https://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/~~FAB2_MYCTU FAB2_MYCTU~~]~~] Catalyzes the condensation reaction~~ of fatty acid ~~synthesis~~ by the addition ~~to an acyl acceptor~~ of two carbons from malonyl-ACP (~~By similarity~~).	+	[https://www.uniprot.org/uniprot/KASB_MYCTU KASB_MYCTU] Part of the mycobacterial fatty acid elongation system FAS-II, which is involved in mycolic acid biosynthesis. Catalyzes the elongation of long chain acyl-ACP substrates by the addition of two carbons from malonyl-ACP to an acyl acceptor (PubMed:11600501, PubMed:12464486, PubMed:16873379). Involved in extension of the mycolate chains to full lengths and produces longer chain multiunsaturated hydrocarbons averaging 54 carbons in length (PubMed:12464486). Essential for resistance to macrophage antimicrobial activity (PubMed:12950920).<ref>PMID:11600501</ref> <ref>PMID:12464486</ref> <ref>PMID:12950920</ref> <ref>PMID:16873379</ref>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2gp6 ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2gp6 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Mycolic acids are long chain alpha-alkyl branched, beta-hydroxy fatty acids that represent a characteristic component of the Mycobacterium tuberculosis cell wall. Through their covalent attachment to peptidoglycan via an arabinogalactan polysaccharide, they provide the basis for an essential outer envelope membrane. Mycobacteria possess two fatty acid synthases (FAS); FAS-I carries out de novo synthesis of fatty acids while FAS-II is considered to elongate medium chain length fatty acyl primers to provide long chain (C(56)) precursors of mycolic acids. Here we report the crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase (ACP) II mtKasB, a mycobacterial elongation condensing enzyme involved in FAS-II. This enzyme, along with the M. tuberculosis beta-ketoacyl ACP synthase I mtKasA, catalyzes the Claisen-type condensation reaction responsible for fatty acyl elongation in FAS-II and are potential targets for development of novel anti-tubercular drugs. The crystal structure refined to 2.4 A resolution revealed that, like other KAS-II enzymes, mtKasB adopts a thiolase fold but contains unique structural features in the capping region that may be crucial to its preference for longer fatty acyl chains than its counterparts from other bacteria. Modeling of mtKasA using the mtKasB structure as a template predicts the overall structures to be almost identical, but a larger entrance to the active site tunnel is envisaged that might contribute to the greater sensitivity of mtKasA to the inhibitor thiolactomycin (TLM). Modeling of TLM binding in mtKasB shows that the drug fits the active site poorly and results of enzyme inhibition assays using TLM analogues are wholly consistent with our structural observations. Consequently, the structure described here further highlights the potential of TLM as an anti-tubercular lead compound and will aid further exploration of the TLM scaffold towards the design of novel compounds, which inhibit mycobacterial KAS enzymes more effectively.
-
-	X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB).,Sridharan S, Wang L, Brown AK, Dover LG, Kremer L, Besra GS, Sacchettini JC J Mol Biol. 2007 Feb 16;366(2):469-80. Epub 2006 Nov 7. PMID:17174327<ref>PMID:17174327</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 2gp6" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Sacchettini, J~~]]	+	[[Category: Mycobacterium tuberculosis]]
-	[[Category: ~~Sridharan, S~~]]	+	[[Category: Sacchettini J]]
-	[[Category: ~~Structural genomic]]~~	+	[[Category: Sridharan S]]
-	~~[[Category: PSI, Protein structure initiative]]~~	+
-	~~[[Category: Tbsgc]]~~	+
-	~~[[Category: Thiolase fold]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 19:12, 10 March 2021

OCA — Wed, 10 Mar 2021 19:12:30 GMT

←Older revision		Revision as of 19:12, 10 March 2021
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	==X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)==		==X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)==
-	<StructureSection load='2gp6' size='340' side='right' caption='[[2gp6]], [[Resolution\|resolution]] 2.40Å' scene=''>	+	<StructureSection load='2gp6' size='340' side='right'caption='[[2gp6]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2gp6]] 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=2GP6 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2GP6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2gp6]] is a 2 chain structure with sequence from [https://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=2GP6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2GP6 FirstGlance]. <br>
-	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kas\|1kas]], [[1j3n\|1j3n]], [[1e5m\|1e5m]]</td></tr>	+	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1kas\|1kas]], [[1j3n\|1j3n]], [[1e5m\|1e5m]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kasB ([~~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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kasB ([https://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/Beta-ketoacyl-[acyl-carrier-protein]_synthase_I Beta-ketoacyl-[acyl-carrier-protein] synthase I], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Beta-ketoacyl-[acyl-carrier-protein]_synthase_I Beta-ketoacyl-[acyl-carrier-protein] synthase I], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [~~http~~://pdbe.org/2gp6 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2gp6 ProSAT], [~~http~~://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [https://pdbe.org/2gp6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [https://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2gp6 ProSAT], [https://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/FAB2_MYCTU FAB2_MYCTU]] Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP (By similarity).	+	[[https://www.uniprot.org/uniprot/FAB2_MYCTU FAB2_MYCTU]] Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP (By similarity).
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gp/2gp6_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gp/2gp6_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 30:		Line 30:
	</div>		</div>
	<div class="pdbe-citations 2gp6" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2gp6" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Acyl carrier protein synthase 3D structures\|Acyl carrier protein synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Sacchettini, J]]		[[Category: Sacchettini, J]]
	[[Category: Sridharan, S]]		[[Category: Sridharan, S]]

OCA at 07:57, 18 October 2017

OCA — Wed, 18 Oct 2017 07:57:50 GMT

←Older revision		Revision as of 07:57, 18 October 2017
Line 1:		Line 1:
		+
	==X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)==		==X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)==
	<StructureSection load='2gp6' size='340' side='right' caption='[[2gp6]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='2gp6' size='340' side='right' caption='[[2gp6]], [[Resolution\|resolution]] 2.40Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kasB ([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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kasB ([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/Beta-ketoacyl-[acyl-carrier-protein]_synthase_I Beta-ketoacyl-[acyl-carrier-protein] synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-ketoacyl-[acyl-carrier-protein]_synthase_I Beta-ketoacyl-[acyl-carrier-protein] synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [http://pdbe.org/2gp6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [http://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [http://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [http://pdbe.org/2gp6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [http://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2gp6 ProSAT], [http://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2gp6 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 30:
	</div>		</div>
	<div class="pdbe-citations 2gp6" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 2gp6" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Acyl carrier protein synthase\|Acyl carrier protein synthase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 00:52, 12 September 2015

OCA — Sat, 12 Sep 2015 00:52:43 GMT

←Older revision		Revision as of 00:52, 12 September 2015
Line 2:		Line 2:
	<StructureSection load='2gp6' size='340' side='right' caption='[[2gp6]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='2gp6' size='340' side='right' caption='[[2gp6]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2gp6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Mycobacterium_tuberculosis Mycobacterium~~ tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GP6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2GP6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2gp6]] 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=2GP6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2GP6 FirstGlance]. <br>
	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kas\|1kas]], [[1j3n\|1j3n]], [[1e5m\|1e5m]]</td></tr>		</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kas\|1kas]], [[1j3n\|1j3n]], [[1e5m\|1e5m]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kasB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 ~~Mycobacterium~~ tuberculosis])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kasB ([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/Beta-ketoacyl-acyl-carrier-~~protein_synthase_I~~ Beta-ketoacyl-acyl-carrier-protein synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-ketoacyl-[acyl-carrier-protein]_synthase_I Beta-ketoacyl-[acyl-carrier-protein] synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [http://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [http://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [http://pdbe.org/2gp6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [http://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [http://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	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 2gp6" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 35:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]
-	[[Category: Mycobacterium tuberculosis]]
	[[Category: Sacchettini, J]]		[[Category: Sacchettini, J]]
	[[Category: Sridharan, S]]		[[Category: Sridharan, S]]

OCA at 21:39, 25 December 2014

OCA — Thu, 25 Dec 2014 21:39:15 GMT

←Older revision		Revision as of 21:39, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2gp6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GP6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2GP6 FirstGlance]. <br>		<table><tr><td colspan='2'>[[2gp6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GP6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2GP6 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kas\|1kas]], [[1j3n\|1j3n]], [[1e5m\|1e5m]]</td></tr>	+	</td></tr><tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kas\|1kas]], [[1j3n\|1j3n]], [[1e5m\|1e5m]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kasB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kasB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-ketoacyl-acyl-carrier-protein_synthase_I Beta-ketoacyl-acyl-carrier-protein synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-ketoacyl-acyl-carrier-protein_synthase_I Beta-ketoacyl-acyl-carrier-protein synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [http://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [http://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [http://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [http://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/FAB2_MYCTU FAB2_MYCTU]] Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP (By similarity).
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 35:		Line 37:
	[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]		[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
-	[[Category: Sacchettini, J.]]	+	[[Category: Sacchettini, J]]
-	[[Category: Sridharan, S~~.]]~~	+	[[Category: Sridharan, S]]
-	~~[[Category: TBSGC, TB Structural Genomics Consortium.]]~~	+
-	~~[[Category: Protein structure initiative]]~~	+
-	~~[[Category: Psi~~]]	+
	[[Category: Structural genomic]]		[[Category: Structural genomic]]
-	[[Category: ~~Tb structural genomics consortium~~]]	+	[[Category: PSI, Protein structure initiative]]
	[[Category: Tbsgc]]		[[Category: Tbsgc]]
	[[Category: Thiolase fold]]		[[Category: Thiolase fold]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 05:16, 29 September 2014

OCA — Mon, 29 Sep 2014 05:16:02 GMT

←Older revision		Revision as of 05:16, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~2gp6.~~png~~\|~~left~~\|200px]]	+	==X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)==
		+	<StructureSection load='2gp6' size='340' side='right' caption='[[2gp6]], [[Resolution\|resolution]] 2.40Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2gp6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GP6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2GP6 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kas\|1kas]], [[1j3n\|1j3n]], [[1e5m\|1e5m]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">kasB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-ketoacyl-acyl-carrier-protein_synthase_I Beta-ketoacyl-acyl-carrier-protein synthase I], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.41 2.3.1.41] </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=2gp6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gp6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2gp6 RCSB], [http://www.ebi.ac.uk/pdbsum/2gp6 PDBsum], [http://www.topsan.org/Proteins/TBSGC/2gp6 TOPSAN]</span></td></tr>
		+	<table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gp/2gp6_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Mycolic acids are long chain alpha-alkyl branched, beta-hydroxy fatty acids that represent a characteristic component of the Mycobacterium tuberculosis cell wall. Through their covalent attachment to peptidoglycan via an arabinogalactan polysaccharide, they provide the basis for an essential outer envelope membrane. Mycobacteria possess two fatty acid synthases (FAS); FAS-I carries out de novo synthesis of fatty acids while FAS-II is considered to elongate medium chain length fatty acyl primers to provide long chain (C(56)) precursors of mycolic acids. Here we report the crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase (ACP) II mtKasB, a mycobacterial elongation condensing enzyme involved in FAS-II. This enzyme, along with the M. tuberculosis beta-ketoacyl ACP synthase I mtKasA, catalyzes the Claisen-type condensation reaction responsible for fatty acyl elongation in FAS-II and are potential targets for development of novel anti-tubercular drugs. The crystal structure refined to 2.4 A resolution revealed that, like other KAS-II enzymes, mtKasB adopts a thiolase fold but contains unique structural features in the capping region that may be crucial to its preference for longer fatty acyl chains than its counterparts from other bacteria. Modeling of mtKasA using the mtKasB structure as a template predicts the overall structures to be almost identical, but a larger entrance to the active site tunnel is envisaged that might contribute to the greater sensitivity of mtKasA to the inhibitor thiolactomycin (TLM). Modeling of TLM binding in mtKasB shows that the drug fits the active site poorly and results of enzyme inhibition assays using TLM analogues are wholly consistent with our structural observations. Consequently, the structure described here further highlights the potential of TLM as an anti-tubercular lead compound and will aid further exploration of the TLM scaffold towards the design of novel compounds, which inhibit mycobacterial KAS enzymes more effectively.

-	~~{{STRUCTURE_2gp6\| PDB=2gp6 \| SCENE= }}~~	+	X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB).,Sridharan S, Wang L, Brown AK, Dover LG, Kremer L, Besra GS, Sacchettini JC J Mol Biol. 2007 Feb 16;366(2):469-80. Epub 2006 Nov 7. PMID:17174327<ref>PMID:17174327</ref>

-	~~===X-ray crystal structure~~ of ~~Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_17174327}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2gp6]] is a 2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=2GP6 OCA].~~	+

	==See Also==		==See Also==
	*[[Acyl carrier protein synthase\|Acyl carrier protein synthase]]		*[[Acyl carrier protein synthase\|Acyl carrier protein synthase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:017174327<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]		[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]

OCA at 21:58, 20 October 2012

OCA — Sat, 20 Oct 2012 21:58:30 GMT

←Older revision		Revision as of 21:58, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2gp6]] is a 2 chain structure ~~of [[Acyl carrier protein synthase]]~~ with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GP6 OCA].	+	[[2gp6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GP6 OCA].

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

OCA: Protected "2gp6" [edit=sysop:move=sysop]

OCA — Fri, 27 Jul 2012 14:49:24 GMT

Protected "2gp6" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:49, 27 July 2012

OCA at 14:49, 27 July 2012

OCA — Fri, 27 Jul 2012 14:49:23 GMT

←Older revision		Revision as of 14:49, 27 July 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:2gp6.png\|left\|200px]]		[[Image:2gp6.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2gp6", 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_2gp6\| PDB=2gp6 \| SCENE= }}		{{STRUCTURE_2gp6\| PDB=2gp6 \| SCENE= }}

	===X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)===		===X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_17174327}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 17174327 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_17174327}}		{{ABSTRACT_PUBMED_17174327}}

	==About this Structure==		==About this Structure==
-	~~2GP6~~ is a 2 ~~chains~~ structure of ~~sequences~~ from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GP6 OCA].	+	[[2gp6]] is a 2 chain structure of [[Acyl carrier protein synthase]] with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GP6 OCA].
		+
		+	==See Also==
		+	*[[Acyl carrier protein synthase\|Acyl carrier protein synthase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~17174327~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:017174327</ref><references group="xtra"/>
	[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]		[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
Line 35:		Line 26:
	[[Category: Tbsgc]]		[[Category: Tbsgc]]
	[[Category: Thiolase fold]]		[[Category: Thiolase fold]]
-		+	[[Category: Transferase]]
-	~~''Page seeded by~~ [~~http~~:~~//oca.weizmann.ac.il/oca OCA~~ ] ~~on Wed Feb 18 08:41:31 2009''~~	+

OCA at 06:41, 18 February 2009

OCA — Wed, 18 Feb 2009 06:41:33 GMT

←Older revision		Revision as of 06:41, 18 February 2009
Line 23:		Line 23:

	==Reference==		==Reference==
-	X-ray crystal structure of Mycobacterium tuberculosis beta-ketoacyl acyl carrier protein synthase II (mtKasB)., Sridharan S, Wang L, Brown AK, Dover LG, Kremer L, Besra GS, Sacchettini JC, J Mol Biol. 2007 Feb 16;366(2):469-80. Epub 2006 Nov 7. PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/17174327 17174327]~~	+	<ref group="xtra">PMID:17174327</ref><references group="xtra"/>
	[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]		[[Category: Beta-ketoacyl-acyl-carrier-protein synthase I]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
Line 36:		Line 36:
	[[Category: Thiolase fold]]		[[Category: Thiolase fold]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sun Nov 16 16~~:30:~~32 2008~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 08:41:31 2009''