4c71 - Revision history

OCA at 12:05, 20 December 2023

2023-12-20T12:05:14Z

←Older revision		Revision as of 12:05, 20 December 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4c71]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C71 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4c71]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C71 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7RD:(R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE'>7RD</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M7U:(2R)-2-(HEXADECANOYLOXY)-3-{[(10R)-10-METHYLOCTADECANOYL]OXY}PROPYL+PHOSPHATE'>M7U</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]] 1.8Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7RD:(R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE'>7RD</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M7U:(2R)-2-(HEXADECANOYLOXY)-3-{[(10R)-10-METHYLOCTADECANOYL]OXY}PROPYL+PHOSPHATE'>M7U</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=4c71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c71 OCA], [https://pdbe.org/4c71 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c71 RCSB], [https://www.ebi.ac.uk/pdbsum/4c71 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c71 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=4c71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c71 OCA], [https://pdbe.org/4c71 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c71 RCSB], [https://www.ebi.ac.uk/pdbsum/4c71 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c71 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The survival of Mycobacterium tuberculosis depends on mycolic acids - very long alpha-alkyl-beta-hydroxy fatty acids comprising 60 to 90 carbon atoms. However, despite considerable efforts, little is known about how enzymes involved in mycolic acid biosynthesis recognize and bind their hydrophobic fatty acyl substrates. The condensing enzyme KasA is pivotal for the synthesis of very long (C38-42) fatty acids, the precursors of mycolic acids. To probe the mechanism of substrate and inhibitor recognition by KasA, we determined the structure of this protein in complex with a mycobacterial phospholipid, and with several thiolactomycin derivatives that were designed as substrate analogs. Our structures provide consecutive snapshots along the reaction coordinate for the enzyme-catalyzed reaction, and support an induced-fit mechanism in which a wide cavity is established through the concerted opening of three gatekeeping residues and several alpha-helices. The stepwise characterization of the binding process provides mechanistic insights into the induced-fit recognition in this system and serves as an excellent foundation for the development of high affinity KasA inhibitors.
		+
		+	Structural Basis for the Recognition of Mycolic Acid Precursors by KasA, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis.,Schiebel J, Kapilashrami K, Fekete A, Bommineni GR, Schaefer CM, Mueller MJ, Tonge PJ, Kisker C J Biol Chem. 2013 Oct 9. PMID:24108128<ref>PMID:24108128</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 4c71" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Acyl carrier protein synthase 3D structures\|Acyl carrier protein synthase 3D structures]]		*[[Acyl carrier protein synthase 3D structures\|Acyl carrier protein synthase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 17:30, 7 September 2022

2022-09-07T17:30:09Z

←Older revision		Revision as of 17:30, 7 September 2022
Line 3:		Line 3:
	<StructureSection load='4c71' size='340' side='right'caption='[[4c71]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='4c71' size='340' side='right'caption='[[4c71]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4c71]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Myctu Myctu~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4C71 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4c71]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C71 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7RD:(R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE'>7RD</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M7U:(2R)-2-(HEXADECANOYLOXY)-3-{[(10R)-10-METHYLOCTADECANOYL]OXY}PROPYL+PHOSPHATE'>M7U</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7RD:(R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE'>7RD</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M7U:(2R)-2-(HEXADECANOYLOXY)-3-{[(10R)-10-METHYLOCTADECANOYL]OXY}PROPYL+PHOSPHATE'>M7U</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c6u\|4c6u]], [[4c6v\|4c6v]], [[4c6w\|4c6w]], [[4c6x\|4c6x]], [[4c6z\|4c6z]], [[4c70\|4c70]], [[4c72\|4c72]], [[4c73\|4c73]]</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=4c71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c71 OCA], [https://pdbe.org/4c71 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c71 RCSB], [https://www.ebi.ac.uk/pdbsum/4c71 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c71 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/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=4c71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c71 OCA], [~~http~~://pdbe.org/4c71 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4c71 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4c71 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4c71 ProSAT]</span></td></tr>	+
	</table>		</table>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	The survival of Mycobacterium tuberculosis depends on mycolic acids - very long alpha-alkyl-beta-hydroxy fatty acids comprising 60 to 90 carbon atoms. However, despite considerable efforts, little is known about how enzymes involved in mycolic acid biosynthesis recognize and bind their hydrophobic fatty acyl substrates. The condensing enzyme KasA is pivotal for the synthesis of very long (C38-42) fatty acids, the precursors of mycolic acids. To probe the mechanism of substrate and inhibitor recognition by KasA, we determined the structure of this protein in complex with a mycobacterial phospholipid, and with several thiolactomycin derivatives that were designed as substrate analogs. Our structures provide consecutive snapshots along the reaction coordinate for the enzyme-catalyzed reaction, and support an induced-fit mechanism in which a wide cavity is established through the concerted opening of three gatekeeping residues and several alpha-helices. The stepwise characterization of the binding process provides mechanistic insights into the induced-fit recognition in this system and serves as an excellent foundation for the development of high affinity KasA inhibitors.
-
-	Structural Basis for the Recognition of Mycolic Acid Precursors by KasA, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis.,Schiebel J, Kapilashrami K, Fekete A, Bommineni GR, Schaefer CM, Mueller MJ, Tonge PJ, Kisker C J Biol Chem. 2013 Oct 9. PMID:24108128<ref>PMID:24108128</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 4c71" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
-	*[[Acyl carrier protein synthase\|Acyl carrier protein synthase]]	+	*[[Acyl carrier protein synthase 3D structures\|Acyl carrier protein synthase 3D structures]]
-	~~== References ==~~	+
-	~~<references/>~~	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Myctu~~]]	+	[[Category: Mycobacterium tuberculosis H37Rv]]
-	[[Category: Bommineni~~, G R~~]]	+	[[Category: Bommineni GR]]
-	[[Category: Fekete, A]]	+	[[Category: Fekete A]]
-	[[Category: Kapilashrami, K]]	+	[[Category: Kapilashrami K]]
-	[[Category: Kisker, C]]	+	[[Category: Kisker C]]
-	[[Category: Mueller~~, M J~~]]	+	[[Category: Mueller MJ]]
-	[[Category: Schaefer~~, C M~~]]	+	[[Category: Schaefer CM]]
-	[[Category: Schiebel, J]]	+	[[Category: Schiebel J]]
-	[[Category: Tonge~~, P J]]~~	+	[[Category: Tonge PJ]]
-	~~[[Category: Beto-ketoacyl-acp synthase]]~~	+
-	~~[[Category: Condensing enzyme]]~~	+
-	~~[[Category: Kas enzyme]]~~	+
-	~~[[Category: Mycolic acid synthesis]]~~	+
-	~~[[Category: Thiolactomycin]]~~	+
-	~~[[Category: Transferase]]~~	+
-	~~[[Category: Type 2 fatty acid biosynthesis~~]]	+

OCA at 08:43, 20 March 2019

2019-03-20T08:43:40Z

←Older revision		Revision as of 08:43, 20 March 2019
Line 1:		Line 1:

	==Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18==		==Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18==
-	<StructureSection load='4c71' size='340' side='right' caption='[[4c71]], [[Resolution\|resolution]] 1.80Å' scene=''>	+	<StructureSection load='4c71' size='340' side='right'caption='[[4c71]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C71 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C71 FirstGlance]. <br>
Line 25:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Myctu]]		[[Category: Myctu]]
	[[Category: Bommineni, G R]]		[[Category: Bommineni, G R]]

OCA at 16:47, 11 August 2016

2016-08-11T16:47:51Z

←Older revision		Revision as of 16:47, 11 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18==		==Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18==
	<StructureSection load='4c71' size='340' side='right' caption='[[4c71]], [[Resolution\|resolution]] 1.80Å' scene=''>		<StructureSection load='4c71' size='340' side='right' caption='[[4c71]], [[Resolution\|resolution]] 1.80Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Mycobacterium_sp._h37rv Mycobacterium sp. h37rv~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C71 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C71 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7RD:(R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE'>7RD</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M7U:(2R)-2-(HEXADECANOYLOXY)-3-{[(10R)-10-METHYLOCTADECANOYL]OXY}PROPYL+PHOSPHATE'>M7U</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7RD:(R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE'>7RD</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M7U:(2R)-2-(HEXADECANOYLOXY)-3-{[(10R)-10-METHYLOCTADECANOYL]OXY}PROPYL+PHOSPHATE'>M7U</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c6u\|4c6u]], [[4c6v\|4c6v]], [[4c6w\|4c6w]], [[4c6x\|4c6x]], [[4c6z\|4c6z]], [[4c70\|4c70]], [[4c72\|4c72]], [[4c73\|4c73]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c6u\|4c6u]], [[4c6v\|4c6v]], [[4c6w\|4c6w]], [[4c6x\|4c6x]], [[4c6z\|4c6z]], [[4c70\|4c70]], [[4c72\|4c72]], [[4c73\|4c73]]</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=4c71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c71 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c71 RCSB], [http://www.ebi.ac.uk/pdbsum/4c71 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=4c71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c71 OCA], [http://pdbe.org/4c71 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4c71 RCSB], [http://www.ebi.ac.uk/pdbsum/4c71 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4c71 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 16:		Line 17:
	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 4c71" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Acyl carrier protein synthase\|Acyl carrier protein synthase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Mycobacterium sp. h37rv~~]]	+	[[Category: Myctu]]
	[[Category: Bommineni, G R]]		[[Category: Bommineni, G R]]
	[[Category: Fekete, A]]		[[Category: Fekete, A]]

OCA at 11:01, 20 January 2015

2015-01-20T11:01:15Z

←Older revision		Revision as of 11:01, 20 January 2015
Line 1:		Line 1:
-	~~{{STRUCTURE_4c71\| PDB=4c71 \| SCENE= }}~~	+	==Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18==
-	===Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18===	+	<StructureSection load='4c71' size='340' side='right' caption='[[4c71]], [[Resolution\|resolution]] 1.80Å' scene=''>
-	{~~{ABSTRACT_PUBMED_24108128}~~}	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_sp._h37rv Mycobacterium sp. h37rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C71 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7RD:(R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE'>7RD</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=M7U:(2R)-2-(HEXADECANOYLOXY)-3-{[(10R)-10-METHYLOCTADECANOYL]OXY}PROPYL+PHOSPHATE'>M7U</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c6u\|4c6u]], [[4c6v\|4c6v]], [[4c6w\|4c6w]], [[4c6x\|4c6x]], [[4c6z\|4c6z]], [[4c70\|4c70]], [[4c72\|4c72]], [[4c73\|4c73]]</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=4c71 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c71 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c71 RCSB], [http://www.ebi.ac.uk/pdbsum/4c71 PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The survival of Mycobacterium tuberculosis depends on mycolic acids - very long alpha-alkyl-beta-hydroxy fatty acids comprising 60 to 90 carbon atoms. However, despite considerable efforts, little is known about how enzymes involved in mycolic acid biosynthesis recognize and bind their hydrophobic fatty acyl substrates. The condensing enzyme KasA is pivotal for the synthesis of very long (C38-42) fatty acids, the precursors of mycolic acids. To probe the mechanism of substrate and inhibitor recognition by KasA, we determined the structure of this protein in complex with a mycobacterial phospholipid, and with several thiolactomycin derivatives that were designed as substrate analogs. Our structures provide consecutive snapshots along the reaction coordinate for the enzyme-catalyzed reaction, and support an induced-fit mechanism in which a wide cavity is established through the concerted opening of three gatekeeping residues and several alpha-helices. The stepwise characterization of the binding process provides mechanistic insights into the induced-fit recognition in this system and serves as an excellent foundation for the development of high affinity KasA inhibitors.

-	~~==About this Structure==~~	+	Structural Basis for the Recognition of Mycolic Acid Precursors by KasA, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis.,Schiebel J, Kapilashrami K, Fekete A, Bommineni GR, Schaefer CM, Mueller MJ, Tonge PJ, Kisker C J Biol Chem. 2013 Oct 9. PMID:24108128<ref>PMID:24108128</ref>
-	~~[[4c71]] is~~ a ~~2 chain structure with sequence~~ from ~~[http://en~~.~~wikipedia~~.~~org/wiki/Mycobacterium_sp~~.~~_h37rv Mycobacterium sp. h37rv]. Full crystallographic information is available from [http~~:/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group="xtra">PMID:024108128</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Mycobacterium sp. h37rv]]		[[Category: Mycobacterium sp. h37rv]]
-	[[Category: Bommineni, G R.]]	+	[[Category: Bommineni, G R]]
-	[[Category: Fekete, A.]]	+	[[Category: Fekete, A]]
-	[[Category: Kapilashrami, K.]]	+	[[Category: Kapilashrami, K]]
-	[[Category: Kisker, C.]]	+	[[Category: Kisker, C]]
-	[[Category: Mueller, M J.]]	+	[[Category: Mueller, M J]]
-	[[Category: Schaefer, C M.]]	+	[[Category: Schaefer, C M]]
-	[[Category: Schiebel, J.]]	+	[[Category: Schiebel, J]]
-	[[Category: Tonge, P J.]]	+	[[Category: Tonge, P J]]
	[[Category: Beto-ketoacyl-acp synthase]]		[[Category: Beto-ketoacyl-acp synthase]]
	[[Category: Condensing enzyme]]		[[Category: Condensing enzyme]]

OCA at 12:15, 11 December 2013

2013-12-11T12:15:17Z

←Older revision		Revision as of 12:15, 11 December 2013
Line 4:		Line 4:

	==About this Structure==		==About this Structure==
-	[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Mycobacterium_tuberculosis_h37rv~~ Mycobacterium ~~tuberculosis~~ h37rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA].	+	[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_sp._h37rv Mycobacterium sp. h37rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA].

	==Reference==		==Reference==
	<ref group="xtra">PMID:024108128</ref><references group="xtra"/><references/>		<ref group="xtra">PMID:024108128</ref><references group="xtra"/><references/>
-	[[Category: Mycobacterium ~~tuberculosis~~ h37rv]]	+	[[Category: Mycobacterium sp. h37rv]]
	[[Category: Bommineni, G R.]]		[[Category: Bommineni, G R.]]
	[[Category: Fekete, A.]]		[[Category: Fekete, A.]]

OCA at 05:04, 23 October 2013

2013-10-23T05:04:21Z

←Older revision		Revision as of 05:04, 23 October 2013
Line 1:		Line 1:
	{{STRUCTURE_4c71\| PDB=4c71 \| SCENE= }}		{{STRUCTURE_4c71\| PDB=4c71 \| SCENE= }}
	===Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18===		===Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18===
		+	{{ABSTRACT_PUBMED_24108128}}

	==About this Structure==		==About this Structure==
	[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_h37rv Mycobacterium tuberculosis h37rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA].		[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_h37rv Mycobacterium tuberculosis h37rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:024108128</ref><references group="xtra"/><references/>
	[[Category: Mycobacterium tuberculosis h37rv]]		[[Category: Mycobacterium tuberculosis h37rv]]
	[[Category: Bommineni, G R.]]		[[Category: Bommineni, G R.]]

OCA at 06:35, 10 October 2013

2013-10-10T06:35:58Z

←Older revision		Revision as of 06:35, 10 October 2013
Line 1:		Line 1:
-	~~'''Unreleased~~ structure~~'''~~	+	{{STRUCTURE_4c71\| PDB=4c71 \| SCENE= }}
		+	===Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18===

-	~~The entry~~ 4c71 is ~~ON HOLD until Paper Publication~~	+	==About this Structure==
-		+	[[4c71]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_h37rv Mycobacterium tuberculosis h37rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C71 OCA].
-	~~Authors~~: ~~Schiebel~~, J., Kapilashrami, K., ~~Fekete, A~~., ~~Bommineni, G~~.~~R.,~~ Schaefer, C.M., ~~Mueller, M.~~J., Tonge, P.J.~~, Kisker, C.~~	+	[[Category: Mycobacterium tuberculosis h37rv]]
-		+	[[Category: Bommineni, G R.]]
-	~~Description~~: ~~Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18~~	+	[[Category: Fekete, A.]]
		+	[[Category: Kapilashrami, K.]]
		+	[[Category: Kisker, C.]]
		+	[[Category: Mueller, M J.]]
		+	[[Category: Schaefer, C M.]]
		+	[[Category: Schiebel, J.]]
		+	[[Category: Tonge, P J.]]
		+	[[Category: Beto-ketoacyl-acp synthase]]
		+	[[Category: Condensing enzyme]]
		+	[[Category: Kas enzyme]]
		+	[[Category: Mycolic acid synthesis]]
		+	[[Category: Thiolactomycin]]
		+	[[Category: Transferase]]
		+	[[Category: Type 2 fatty acid biosynthesis]]

OCA at 06:33, 2 October 2013

2013-10-02T06:33:02Z

←Older revision		Revision as of 06:33, 2 October 2013
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4c71 is ON HOLD	+	The entry 4c71 is ON HOLD until Paper Publication

	Authors: Schiebel, J., Kapilashrami, K., Fekete, A., Bommineni, G.R., Schaefer, C.M., Mueller, M.J., Tonge, P.J., Kisker, C.		Authors: Schiebel, J., Kapilashrami, K., Fekete, A., Bommineni, G.R., Schaefer, C.M., Mueller, M.J., Tonge, P.J., Kisker, C.

	Description: Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18		Description: Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18

OCA: Protected "4c71" [edit=sysop:move=sysop]

2013-09-29T07:16:49Z

Protected "4c71" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:16, 29 September 2013