1kpg - Revision history

OCA at 08:02, 3 April 2024

2024-04-03T08:02:39Z

←Older revision		Revision as of 08:02, 3 April 2024
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	<StructureSection load='1kpg' size='340' side='right'caption='[[1kpg]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1kpg' size='340' side='right'caption='[[1kpg]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1kpg]] is a 4 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=1KPG OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=1KPG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1kpg]] is a 4 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=1KPG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1KPG FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=16A:CETYL~~-~~TRIMETHYL-AMMONIUM'>16A</scene>~~, ~~<scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</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]] 2Å</td></tr>
-	<tr id='~~NonStdRes~~'><td class="sblockLbl"><b>[[~~Non-Standard_Residue~~\|~~NonStd Res~~:]]</b></td><td class="sblockDat"><scene name='pdbligand=~~MSE~~:~~SELENOMETHIONINE~~'>~~MSE~~</scene><~~/td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=16A:CETYL-TRIMETHYL-AMMONIUM'>16A</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
-	~~<tr id~~='~~related'><td class~~=~~"sblockLbl"><b>[[Related_structure\|Related~~:~~]]</b~~></td>~~<td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1kp9\|1kp9]]~~, ~~[[1kph\|1kph]], [[1kpi\|1kpi]]~~<~~/div></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=1kpg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kpg OCA], [https://pdbe.org/1kpg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1kpg RCSB], [https://www.ebi.ac.uk/pdbsum/1kpg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1kpg ProSAT]</span></td></tr>
-	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b~~></td><~~td class="sblockDat">cmaA1 ([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/Cyclopropane~~-~~fatty~~-~~acyl~~-~~phospholipid_synthase Cyclopropane-fatty-acyl-phospholipid synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.79 2.1.1.79]~~ </~~span~~></td></tr>	+
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=1kpg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kpg OCA], [~~http~~://pdbe.org/1kpg PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1kpg RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1kpg PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1kpg ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CMAS1_MYCTU CMAS1_MYCTU]] Catalyzes the conversion of a double bond to a cyclopropane ring at the distal position of an alpha mycolic acid via the transfer of a methylene group from S-adenosyl-L-methionine. Cyclopropanated mycolic acids are key factors participating in cell envelope permeability, host immunomodulation and persistence.<ref>PMID:7592990</ref>	+	[https://www.uniprot.org/uniprot/CMAS1_MYCTU CMAS1_MYCTU] Catalyzes the conversion of a double bond to a cyclopropane ring at the distal position of an alpha mycolic acid via the transfer of a methylene group from S-adenosyl-L-methionine. Cyclopropanated mycolic acids are key factors participating in cell envelope permeability, host immunomodulation and persistence.<ref>PMID:7592990</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=1kpg 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=1kpg ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Mycolic acids are major components of the cell wall of Mycobacterium tuberculosis. Several studies indicate that functional groups in the acyl chain of mycolic acids are important for pathogenesis and persistence. There are at least three mycolic acid cyclopropane synthases (PcaA, CmaA1, and CmaA2) that are responsible for these site-specific modifications of mycolic acids. To derive information on the specificity and enzyme mechanism of the family of proteins, the crystal structures of CmaA1, CmaA2, and PcaA were solved to 2-, 2-, and 2.65-A resolution, respectively. All three enzymes have a seven-stranded alpha/beta fold similar to other methyltransferases with the location and interactions with the cofactor S-adenosyl-l-methionine conserved. The structures of the ternary complexes demonstrate the position of the mycolic acid substrate binding site. Close examination of the active site reveals electron density that we believe represents a bicarbonate ion. The structures support the hypothesis that these enzymes catalyze methyl transfer via a carbocation mechanism in which the bicarbonate ion acts as a general base. In addition, comparison of the enzyme structures reveals a possible mechanism for substrate specificity. These structures provide a foundation for rational-drug design, which may lead to the development of new inhibitors effective against persistent bacteria.
-
-	Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis.,Huang CC, Smith CV, Glickman MS, Jacobs WR Jr, Sacchettini JC J Biol Chem. 2002 Mar 29;277(13):11559-69. Epub 2001 Dec 26. PMID:11756461<ref>PMID:11756461</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1kpg" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Glickman, M S~~]]	+	[[Category: Mycobacterium tuberculosis]]
-	[[Category: ~~Huang, C C~~]]	+	[[Category: Glickman MS]]
-	[[Category: ~~Jacobs, W R]]~~	+	[[Category: Huang C-C]]
-	~~[[Category: Sacchettini, J~~ C]]	+	[[Category: Jacobs Jr WR]]
-	~~[[Category: Smith,~~ C V]]	+	[[Category: Sacchettini JC]]
-	[[Category: ~~Structural genomic~~]]	+	[[Category: Smith CV]]
-	[[Category: ~~Mixed alpha beta fold~~]]	+
-	[[Category: ~~PSI, Protein structure initiative]]~~	+
-	~~[[Category: Tbsgc]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 07:48, 25 November 2020

2020-11-25T07:48:20Z

←Older revision		Revision as of 07:48, 25 November 2020
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	==Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and CTAB==		==Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and CTAB==
-	<StructureSection load='1kpg' size='340' side='right' caption='[[1kpg]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='1kpg' size='340' side='right'caption='[[1kpg]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1kpg]] is a 4 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=1KPG OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1KPG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1kpg]] is a 4 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=1KPG OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=1KPG FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=16A:CETYL-TRIMETHYL-AMMONIUM'>16A</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=16A:CETYL-TRIMETHYL-AMMONIUM'>16A</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kp9\|1kp9]], [[1kph\|1kph]], [[1kpi\|1kpi]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1kp9\|1kp9]], [[1kph\|1kph]], [[1kpi\|1kpi]]</div></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">cmaA1 ([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">cmaA1 ([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/Cyclopropane-fatty-acyl-phospholipid_synthase Cyclopropane-fatty-acyl-phospholipid synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.79 2.1.1.79] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cyclopropane-fatty-acyl-phospholipid_synthase Cyclopropane-fatty-acyl-phospholipid synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.79 2.1.1.79] </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=1kpg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kpg OCA], [http://pdbe.org/1kpg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1kpg RCSB], [http://www.ebi.ac.uk/pdbsum/1kpg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1kpg ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=1kpg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kpg OCA], [http://pdbe.org/1kpg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1kpg RCSB], [http://www.ebi.ac.uk/pdbsum/1kpg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1kpg ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	</div>		</div>
	<div class="pdbe-citations 1kpg" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1kpg" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Fatty acid synthase 3D structures\|Fatty acid synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]		[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]
		+	[[Category: Large Structures]]
	[[Category: Glickman, M S]]		[[Category: Glickman, M S]]
	[[Category: Huang, C C]]		[[Category: Huang, C C]]

OCA at 21:24, 24 January 2018

2018-01-24T21:24:28Z

←Older revision		Revision as of 21:24, 24 January 2018
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		+
	==Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and CTAB==		==Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and CTAB==
	<StructureSection load='1kpg' size='340' side='right' caption='[[1kpg]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1kpg' size='340' side='right' caption='[[1kpg]], [[Resolution\|resolution]] 2.00Å' scene=''>
Line 8:		Line 9:
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">cmaA1 ([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">cmaA1 ([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/Cyclopropane-fatty-acyl-phospholipid_synthase Cyclopropane-fatty-acyl-phospholipid synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.79 2.1.1.79] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cyclopropane-fatty-acyl-phospholipid_synthase Cyclopropane-fatty-acyl-phospholipid synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.79 2.1.1.79] </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=1kpg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kpg OCA], [http://pdbe.org/1kpg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1kpg RCSB], [http://www.ebi.ac.uk/pdbsum/1kpg 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=1kpg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kpg OCA], [http://pdbe.org/1kpg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1kpg RCSB], [http://www.ebi.ac.uk/pdbsum/1kpg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1kpg ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 16:		Line 17:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kp/1kpg_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kp/1kpg_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 31:		Line 32:
	</div>		</div>
	<div class="pdbe-citations 1kpg" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1kpg" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Fatty acid synthase\|Fatty acid synthase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 18:29, 7 February 2016

2016-02-07T18:29:29Z

←Older revision		Revision as of 18:29, 7 February 2016
Line 20:		Line 20:
	<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=1kpg ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 04:03, 10 September 2015

2015-09-10T04:03:19Z

←Older revision		Revision as of 04:03, 10 September 2015
Line 2:		Line 2:
	<StructureSection load='1kpg' size='340' side='right' caption='[[1kpg]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='1kpg' size='340' side='right' caption='[[1kpg]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1kpg]] is a 4 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=1KPG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1KPG FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1kpg]] is a 4 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=1KPG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1KPG FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=16A:CETYL-TRIMETHYL-AMMONIUM'>16A</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=16A:CETYL-TRIMETHYL-AMMONIUM'>16A</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kp9\|1kp9]], [[1kph\|1kph]], [[1kpi\|1kpi]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kp9\|1kp9]], [[1kph\|1kph]], [[1kpi\|1kpi]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">cmaA1 ([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">cmaA1 ([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/Cyclopropane-fatty-acyl-phospholipid_synthase Cyclopropane-fatty-acyl-phospholipid synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.79 2.1.1.79] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cyclopropane-fatty-acyl-phospholipid_synthase Cyclopropane-fatty-acyl-phospholipid synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.79 2.1.1.79] </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=1kpg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kpg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1kpg RCSB], [http://www.ebi.ac.uk/pdbsum/1kpg 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=1kpg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kpg OCA], [http://pdbe.org/1kpg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1kpg RCSB], [http://www.ebi.ac.uk/pdbsum/1kpg PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 30:		Line 30:
	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 1kpg" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 38:		Line 39:
	</StructureSection>		</StructureSection>
	[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]		[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]
-	[[Category: Mycobacterium tuberculosis]]
	[[Category: Glickman, M S]]		[[Category: Glickman, M S]]
	[[Category: Huang, C C]]		[[Category: Huang, C C]]

OCA at 17:26, 24 December 2014

2014-12-24T17:26:04Z

←Older revision		Revision as of 17:26, 24 December 2014
Line 1:		Line 1:
-	[[~~Image:~~1kpg.~~png~~\|~~left~~\|200px]]	+	==Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and CTAB==
		+	<StructureSection load='1kpg' size='340' side='right' caption='[[1kpg]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1kpg]] is a 4 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=1KPG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1KPG FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=16A:CETYL-TRIMETHYL-AMMONIUM'>16A</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene>, <scene name='pdbligand=SAH:S-ADENOSYL-L-HOMOCYSTEINE'>SAH</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1kp9\|1kp9]], [[1kph\|1kph]], [[1kpi\|1kpi]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">cmaA1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cyclopropane-fatty-acyl-phospholipid_synthase Cyclopropane-fatty-acyl-phospholipid synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.79 2.1.1.79] </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=1kpg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kpg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1kpg RCSB], [http://www.ebi.ac.uk/pdbsum/1kpg PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CMAS1_MYCTU CMAS1_MYCTU]] Catalyzes the conversion of a double bond to a cyclopropane ring at the distal position of an alpha mycolic acid via the transfer of a methylene group from S-adenosyl-L-methionine. Cyclopropanated mycolic acids are key factors participating in cell envelope permeability, host immunomodulation and persistence.<ref>PMID:7592990</ref>
		+	== 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/kp/1kpg_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 major components of the cell wall of Mycobacterium tuberculosis. Several studies indicate that functional groups in the acyl chain of mycolic acids are important for pathogenesis and persistence. There are at least three mycolic acid cyclopropane synthases (PcaA, CmaA1, and CmaA2) that are responsible for these site-specific modifications of mycolic acids. To derive information on the specificity and enzyme mechanism of the family of proteins, the crystal structures of CmaA1, CmaA2, and PcaA were solved to 2-, 2-, and 2.65-A resolution, respectively. All three enzymes have a seven-stranded alpha/beta fold similar to other methyltransferases with the location and interactions with the cofactor S-adenosyl-l-methionine conserved. The structures of the ternary complexes demonstrate the position of the mycolic acid substrate binding site. Close examination of the active site reveals electron density that we believe represents a bicarbonate ion. The structures support the hypothesis that these enzymes catalyze methyl transfer via a carbocation mechanism in which the bicarbonate ion acts as a general base. In addition, comparison of the enzyme structures reveals a possible mechanism for substrate specificity. These structures provide a foundation for rational-drug design, which may lead to the development of new inhibitors effective against persistent bacteria.

-	~~{{STRUCTURE_1kpg\| PDB=1kpg \| SCENE= }}~~	+	Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis.,Huang CC, Smith CV, Glickman MS, Jacobs WR Jr, Sacchettini JC J Biol Chem. 2002 Mar 29;277(13):11559-69. Epub 2001 Dec 26. PMID:11756461<ref>PMID:11756461</ref>

-	~~===Crystal Structure~~ of ~~mycolic acid cyclopropane synthase CmaA1 complexed with SAH and CTAB===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_11756461}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1kpg]] is a 4 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=1KPG OCA].~~	+

	==See Also==		==See Also==
	*[[Fatty acid synthase\|Fatty acid synthase]]		*[[Fatty acid synthase\|Fatty acid synthase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:011756461<~~/~~ref~~><~~ref group="xtra">PMID:012462144</ref><references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]		[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
-	[[Category: Glickman, M S.]]	+	[[Category: Glickman, M S]]
-	[[Category: Huang, C C.]]	+	[[Category: Huang, C C]]
-	[[Category: Jacobs, W R.]]	+	[[Category: Jacobs, W R]]
-	[[Category: Sacchettini, J C.]]	+	[[Category: Sacchettini, J C]]
-	[[Category: Smith, C V.]]	+	[[Category: Smith, C V]]
-	[[Category: ~~TBSGC, TB~~ Structural ~~Genomics Consortium.~~]]	+	[[Category: Structural genomic]]
	[[Category: Mixed alpha beta fold]]		[[Category: Mixed alpha beta fold]]
-	[[Category: Protein structure initiative]]	+	[[Category: PSI, Protein structure initiative]]
-	~~[[Category: Psi]]~~	+
-	~~[[Category: Structural genomic]]~~	+
-	~~[[Category: Tb structural genomics consortium~~]]	+
	[[Category: Tbsgc]]		[[Category: Tbsgc]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 07:31, 20 October 2012

2012-10-20T07:31:19Z

←Older revision		Revision as of 07:31, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1kpg]] is a 4 chain structure ~~of [[Fatty acid 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=1KPG OCA].	+	[[1kpg]] is a 4 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=1KPG OCA].

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

OCA: Protected "1kpg" [edit=sysop:move=sysop]

2012-07-25T16:35:24Z

Protected "1kpg" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:35, 25 July 2012

OCA at 16:35, 25 July 2012

2012-07-25T16:35:22Z

←Older revision		Revision as of 16:35, 25 July 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:1kpg.png\|left\|200px]]		[[Image:1kpg.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1kpg", 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_1kpg\| PDB=1kpg \| SCENE= }}		{{STRUCTURE_1kpg\| PDB=1kpg \| SCENE= }}

	===Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and CTAB===		===Crystal Structure of mycolic acid cyclopropane synthase CmaA1 complexed with SAH and CTAB===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_11756461}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 11756461 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_11756461}}		{{ABSTRACT_PUBMED_11756461}}

	==About this Structure==		==About this Structure==
-	~~1KPG~~ is a 4 ~~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=1KPG OCA].	+	[[1kpg]] is a 4 chain structure of [[Fatty acid 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=1KPG OCA].
		+
		+	==See Also==
		+	*[[Fatty acid synthase\|Fatty acid synthase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~11756461~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:011756461</ref><ref group="xtra">PMID:012462144</ref><references group="xtra"/>
	[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]		[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Glickman, M S.]]		[[Category: Glickman, M S.]]
	[[Category: Huang, C C.]]		[[Category: Huang, C C.]]
-	[[Category: ~~Jr.~~, W R~~.Jacobs~~.]]	+	[[Category: Jacobs, W R.]]
	[[Category: Sacchettini, J C.]]		[[Category: Sacchettini, J C.]]
	[[Category: Smith, C V.]]		[[Category: Smith, C V.]]
Line 38:		Line 29:
	[[Category: Tb structural genomics consortium]]		[[Category: Tb structural genomics consortium]]
	[[Category: Tbsgc]]		[[Category: Tbsgc]]
-		+	[[Category: Transferase]]
-	~~''Page seeded by~~ [~~http~~:~~//oca.weizmann.ac.il/oca OCA~~ ] ~~on Mon Feb 16 15:45:45 2009''~~	+

OCA at 13:45, 16 February 2009

2009-02-16T13:45:46Z

←Older revision		Revision as of 13:45, 16 February 2009
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	1KPG is a ~~[[Single protein]]~~ structure of ~~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=1KPG OCA].	+	1KPG is a 4 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=1KPG OCA].

	==Reference==		==Reference==
-	Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis., Huang CC, Smith CV, Glickman MS, Jacobs WR Jr, Sacchettini JC, J Biol Chem. 2002 Mar 29;277(13):11559-69. Epub 2001 Dec 26. PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/11756461 11756461]~~	+	<ref group="xtra">PMID:11756461</ref><references group="xtra"/>
	[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]		[[Category: Cyclopropane-fatty-acyl-phospholipid synthase]]
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
-	[[Category: Single protein]]
	[[Category: Glickman, M S.]]		[[Category: Glickman, M S.]]
	[[Category: Huang, C C.]]		[[Category: Huang, C C.]]
Line 40:		Line 39:
	[[Category: Tbsgc]]		[[Category: Tbsgc]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Wed Jul 2 10~~:42:~~46 2008~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Feb 16 15:45:45 2009''