1q74 - Revision history

OCA at 09:00, 21 February 2024

OCA — Wed, 21 Feb 2024 09:00:19 GMT

←Older revision		Revision as of 09:00, 21 February 2024
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	<StructureSection load='1q74' size='340' side='right'caption='[[1q74]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='1q74' size='340' side='right'caption='[[1q74]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1q74]] 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=1Q74 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=1Q74 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1q74]] 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=1Q74 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1Q74 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.7Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Rv1170 ([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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [~~http~~://pdbe.org/1q74 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1q74 ProSAT], [~~http~~://www.topsan.org/Proteins/TBSGC/1q74 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=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [https://pdbe.org/1q74 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [https://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1q74 ProSAT], [https://www.topsan.org/Proteins/TBSGC/1q74 TOPSAN]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/~~MSHB_MYCTO MSHB_MYCTO]~~] Catalyzes the deacetylation of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside (GlcNAc-Ins) in the mycothiol (MSH) biosynthesis pathway. Shows some amidase activity toward S-conjugates of mycothiol ~~(By similarity)~~.	+	[https://www.uniprot.org/uniprot/MSHB_MYCTU MSHB_MYCTU] Catalyzes the deacetylation of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside (GlcNAc-Ins) in the mycothiol (MSH) biosynthesis pathway. Shows some amidase activity toward S-conjugates of mycothiol.<ref>PMID:11092856</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=1q74 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=1q74 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Mycothiol (1-D-myo-inosityl 2-(N-acetyl-L-cysteinyl)amido-2-deoxy-alpha-D-glucopyranoside, MSH or AcCys-GlcN-inositol (Ins)) is the major reducing agent in actinomycetes, including Mycobacterium tuberculosis. The biosynthesis of MSH involves a deacetylase that removes the acetyl group from the precursor GlcNAc-Ins to yield GlcN-Ins. The deacetylase (MshB) corresponds to Rv1170 of M. tuberculosis with a molecular mass of 33,400 Da. MshB is a Zn2+ metalloprotein, and the deacetylase activity is completely dependent on the presence of a divalent metal cation. We have determined the x-ray crystallographic structure of MshB, which reveals a protein that folds in a manner resembling lactate dehydrogenase in the N-terminal domain and a C-terminal domain consisting of two beta-sheets and two alpha-helices. The zinc binding site is in the N-terminal domain occupying a position equivalent to that of the NAD+ co-factor of lactate dehydrogenase. The Zn2+ is 5 coordinate with 3 residues from MshB (His-13, Asp-16, His-147) and two water molecules. One water would be displaced upon binding of substrate (GlcNAc-Ins); the other is proposed as the nucleophilic water assisted by the general base carboxylate of Asp-15. In addition to the Zn2+ providing electrophilic assistance in the hydrolysis, His-144 imidazole could form a hydrogen bond to the oxyanion of the tetrahedral intermediate. The extensive sequence identity of MshB, the deacetylase, with mycothiol S-conjugate amidase, an amide hydrolase that mediates detoxification of mycothiol S-conjugate xenobiotics, has allowed us to construct a faithful model of the catalytic domain of mycothiol S-conjugate amidase based on the structure of MshB.
-
-	The crystal structure of 1-D-myo-inosityl 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase (MshB) from Mycobacterium tuberculosis reveals a zinc hydrolase with a lactate dehydrogenase fold.,Maynes JT, Garen C, Cherney MM, Newton G, Arad D, Av-Gay Y, Fahey RC, James MN J Biol Chem. 2003 Nov 21;278(47):47166-70. Epub 2003 Sep 4. PMID:12958317<ref>PMID:12958317</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1q74" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
Line 34:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Arad, D]]	+	[[Category: Mycobacterium tuberculosis]]
-	[[Category: Av-Gay, Y]]	+	[[Category: Arad D]]
-	[[Category: Cherney~~, M M~~]]	+	[[Category: Av-Gay Y]]
-	[[Category: Fahey~~, R C~~]]	+	[[Category: Cherney MM]]
-	[[Category: Garen, C]]	+	[[Category: Fahey RC]]
-	[[Category: James~~, M N~~]]	+	[[Category: Garen C]]
-	[[Category: Maynes~~, J T~~]]	+	[[Category: James MN]]
-	[[Category: Newton, G]]	+	[[Category: Maynes JT]]
-	~~[[Category: Structural genomic]]~~	+	[[Category: Newton G]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: PSI, Protein structure initiative]]~~	+
-	~~[[Category: Rossmann fold]]~~	+
-	~~[[Category: Tbsgc]]~~	+
-	~~[[Category: Zinc aminohydrolase~~]]	+

OCA at 07:45, 9 December 2020

OCA — Wed, 09 Dec 2020 07:45:02 GMT

←Older revision		Revision as of 07:45, 9 December 2020
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	==The Crystal Structure of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)==		==The Crystal Structure of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)==
-	<StructureSection load='1q74' size='340' side='right' caption='[[1q74]], [[Resolution\|resolution]] 1.70Å' scene=''>	+	<StructureSection load='1q74' size='340' side='right'caption='[[1q74]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1q74]] 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=1Q74 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1Q74 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1q74]] 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=1Q74 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=1Q74 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Rv1170 ([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">Rv1170 ([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='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=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [http://pdbe.org/1q74 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [http://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1q74 ProSAT], [http://www.topsan.org/Proteins/TBSGC/1q74 TOPSAN]</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=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [http://pdbe.org/1q74 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [http://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1q74 ProSAT], [http://www.topsan.org/Proteins/TBSGC/1q74 TOPSAN]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 33:		Line 33:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Arad, D]]		[[Category: Arad, D]]
	[[Category: Av-Gay, Y]]		[[Category: Av-Gay, Y]]

OCA at 08:34, 24 February 2018

OCA — Sat, 24 Feb 2018 08:34:25 GMT

←Older revision		Revision as of 08:34, 24 February 2018
Line 1:		Line 1:
		+
	==The Crystal Structure of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)==		==The Crystal Structure of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)==
	<StructureSection load='1q74' size='340' side='right' caption='[[1q74]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='1q74' size='340' side='right' caption='[[1q74]], [[Resolution\|resolution]] 1.70Å' scene=''>
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	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Rv1170 ([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">Rv1170 ([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='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=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [http://pdbe.org/1q74 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [http://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [http://www.topsan.org/Proteins/TBSGC/1q74 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=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [http://pdbe.org/1q74 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [http://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1q74 ProSAT], [http://www.topsan.org/Proteins/TBSGC/1q74 TOPSAN]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/q7/1q74_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/q7/1q74_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>

OCA at 12:20, 8 February 2016

OCA — Mon, 08 Feb 2016 12:20:29 GMT

←Older revision		Revision as of 12:20, 8 February 2016
Line 17:		Line 17:
	<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=1q74 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 11:30, 10 September 2015

OCA — Thu, 10 Sep 2015 11:30:55 GMT

←Older revision		Revision as of 11:30, 10 September 2015
Line 2:		Line 2:
	<StructureSection load='1q74' size='340' side='right' caption='[[1q74]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='1q74' size='340' side='right' caption='[[1q74]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1q74]] 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=1Q74 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1Q74 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1q74]] 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=1Q74 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1Q74 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Rv1170 ([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">Rv1170 ([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='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=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [http://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [http://www.topsan.org/Proteins/TBSGC/1q74 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=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [http://pdbe.org/1q74 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [http://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [http://www.topsan.org/Proteins/TBSGC/1q74 TOPSAN]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[http://www.uniprot.org/uniprot/~~O50426_MYCTU O50426_MYCTU~~]] Catalyzes the deacetylation of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside (GlcNAc-Ins) in the mycothiol (MSH) biosynthesis pathway. Shows some amidase activity toward S-conjugates of mycothiol (By similarity).	+	[[http://www.uniprot.org/uniprot/MSHB_MYCTO MSHB_MYCTO]] Catalyzes the deacetylation of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside (GlcNAc-Ins) in the mycothiol (MSH) biosynthesis pathway. Shows some amidase activity toward S-conjugates of mycothiol (By similarity).
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 27:		Line 27:
	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 1q74" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Mycobacterium tuberculosis]]
	[[Category: Arad, D]]		[[Category: Arad, D]]
	[[Category: Av-Gay, Y]]		[[Category: Av-Gay, Y]]

OCA at 23:16, 24 December 2014

OCA — Wed, 24 Dec 2014 23:16:25 GMT

←Older revision		Revision as of 23:16, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1q74]] 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=1Q74 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1Q74 FirstGlance]. <br>		<table><tr><td colspan='2'>[[1q74]] 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=1Q74 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1Q74 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Rv1170 ([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">Rv1170 ([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>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [http://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [http://www.topsan.org/Proteins/TBSGC/1q74 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=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [http://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [http://www.topsan.org/Proteins/TBSGC/1q74 TOPSAN]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/O50426_MYCTU O50426_MYCTU]] Catalyzes the deacetylation of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside (GlcNAc-Ins) in the mycothiol (MSH) biosynthesis pathway. Shows some amidase activity toward S-conjugates of mycothiol (By similarity).
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 30:		Line 32:
	</StructureSection>		</StructureSection>
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
-	[[Category: Arad, D.]]	+	[[Category: Arad, D]]
-	[[Category: Av-Gay, Y.]]	+	[[Category: Av-Gay, Y]]
-	[[Category: Cherney, M M.]]	+	[[Category: Cherney, M M]]
-	[[Category: Fahey, R C.]]	+	[[Category: Fahey, R C]]
-	[[Category: Garen, C.]]	+	[[Category: Garen, C]]
-	[[Category: James, M N.]]	+	[[Category: James, M N]]
-	[[Category: Maynes, J T.]]	+	[[Category: Maynes, J T]]
-	[[Category: Newton, G.]]	+	[[Category: Newton, G]]
-	[[Category: ~~TBSGC, TB~~ Structural ~~Genomics Consortium.~~]]	+	[[Category: Structural genomic]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
-	[[Category: Protein structure initiative]]	+	[[Category: PSI, Protein structure initiative]]
-	~~[[Category: Psi~~]]	+
	[[Category: Rossmann fold]]		[[Category: Rossmann fold]]
-	[[Category: Structural genomic]]
-	[[Category: Tb structural genomics consortium]]
	[[Category: Tbsgc]]		[[Category: Tbsgc]]
	[[Category: Zinc aminohydrolase]]		[[Category: Zinc aminohydrolase]]

OCA at 14:51, 29 September 2014

OCA — Mon, 29 Sep 2014 14:51:10 GMT

←Older revision		Revision as of 14:51, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~1q74.~~png~~\|~~left~~\|200px]]	+	==The Crystal Structure of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)==
		+	<StructureSection load='1q74' size='340' side='right' caption='[[1q74]], [[Resolution\|resolution]] 1.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1q74]] 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=1Q74 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1Q74 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Rv1170 ([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>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1q74 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q74 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1q74 RCSB], [http://www.ebi.ac.uk/pdbsum/1q74 PDBsum], [http://www.topsan.org/Proteins/TBSGC/1q74 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/q7/1q74_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 ==
		+	Mycothiol (1-D-myo-inosityl 2-(N-acetyl-L-cysteinyl)amido-2-deoxy-alpha-D-glucopyranoside, MSH or AcCys-GlcN-inositol (Ins)) is the major reducing agent in actinomycetes, including Mycobacterium tuberculosis. The biosynthesis of MSH involves a deacetylase that removes the acetyl group from the precursor GlcNAc-Ins to yield GlcN-Ins. The deacetylase (MshB) corresponds to Rv1170 of M. tuberculosis with a molecular mass of 33,400 Da. MshB is a Zn2+ metalloprotein, and the deacetylase activity is completely dependent on the presence of a divalent metal cation. We have determined the x-ray crystallographic structure of MshB, which reveals a protein that folds in a manner resembling lactate dehydrogenase in the N-terminal domain and a C-terminal domain consisting of two beta-sheets and two alpha-helices. The zinc binding site is in the N-terminal domain occupying a position equivalent to that of the NAD+ co-factor of lactate dehydrogenase. The Zn2+ is 5 coordinate with 3 residues from MshB (His-13, Asp-16, His-147) and two water molecules. One water would be displaced upon binding of substrate (GlcNAc-Ins); the other is proposed as the nucleophilic water assisted by the general base carboxylate of Asp-15. In addition to the Zn2+ providing electrophilic assistance in the hydrolysis, His-144 imidazole could form a hydrogen bond to the oxyanion of the tetrahedral intermediate. The extensive sequence identity of MshB, the deacetylase, with mycothiol S-conjugate amidase, an amide hydrolase that mediates detoxification of mycothiol S-conjugate xenobiotics, has allowed us to construct a faithful model of the catalytic domain of mycothiol S-conjugate amidase based on the structure of MshB.

-	~~{{STRUCTURE_1q74\| PDB=1q74 \| SCENE= }}~~	+	The crystal structure of 1-D-myo-inosityl 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylase (MshB) from Mycobacterium tuberculosis reveals a zinc hydrolase with a lactate dehydrogenase fold.,Maynes JT, Garen C, Cherney MM, Newton G, Arad D, Av-Gay Y, Fahey RC, James MN J Biol Chem. 2003 Nov 21;278(47):47166-70. Epub 2003 Sep 4. PMID:12958317<ref>PMID:12958317</ref>

-	~~===The Crystal Structure~~ of ~~1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_12958317}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[1q74]] 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=1Q74 OCA].~~	+	</StructureSection>
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:012958317<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Arad, D.]]		[[Category: Arad, D.]]

OCA: Protected "1q74" [edit=sysop:move=sysop]

OCA — Wed, 02 Jan 2013 10:12:06 GMT

Protected "1q74" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:12, 2 January 2013

OCA at 10:12, 2 January 2013

OCA — Wed, 02 Jan 2013 10:12:04 GMT

←Older revision		Revision as of 10:12, 2 January 2013
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-	{{Seed}}
	[[Image:1q74.png\|left\|200px]]		[[Image:1q74.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1q74", 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_1q74\| PDB=1q74 \| SCENE= }}		{{STRUCTURE_1q74\| PDB=1q74 \| SCENE= }}

-	===The Crystal Structure of 1D-myo-~~inosityl~~ 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)===	+	===The Crystal Structure of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside Deacetylase (MshB)===

-		+	{{ABSTRACT_PUBMED_12958317}}
-	~~<!--~~	+
-	~~The line below this paragraph,~~ {{~~ABSTRACT_PUBMED_12945769}}, adds the Publication Abstract to the page~~	+
-	~~(as it appears on PubMed at http://www.pubmed.gov), where 12945769 is the PubMed ID number.~~	+
-	~~-->~~	+
-	~~{{ABSTRACT_PUBMED_12945769~~}}	+

	==About this Structure==		==About this Structure==
-	~~1Q74~~ 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=1Q74 OCA].	+	[[1q74]] 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=1Q74 OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~12945769~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:012958317</ref><references group="xtra"/>
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Arad, D.]]		[[Category: Arad, D.]]
Line 34:		Line 22:
	[[Category: Newton, G.]]		[[Category: Newton, G.]]
	[[Category: TBSGC, TB Structural Genomics Consortium.]]		[[Category: TBSGC, TB Structural Genomics Consortium.]]
		+	[[Category: Hydrolase]]
	[[Category: Protein structure initiative]]		[[Category: Protein structure initiative]]
	[[Category: Psi]]		[[Category: Psi]]
Line 41:		Line 30:
	[[Category: Tbsgc]]		[[Category: Tbsgc]]
	[[Category: Zinc aminohydrolase]]		[[Category: Zinc aminohydrolase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Oct 28 21:02:27 2009''

OCA at 18:53, 28 October 2009

OCA — Wed, 28 Oct 2009 18:53:50 GMT

←Older revision		Revision as of 18:53, 28 October 2009
Line 14:		Line 14:

	<!--		<!--
-	The line below this paragraph, {{~~ABSTRACT_PUBMED_12958317~~}}, adds the Publication Abstract to the page	+	The line below this paragraph, {{ABSTRACT_PUBMED_12945769}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where ~~12958317~~ is the PubMed ID number.	+	(as it appears on PubMed at http://www.pubmed.gov), where 12945769 is the PubMed ID number.
	-->		-->
-	{{~~ABSTRACT_PUBMED_12958317~~}}	+	{{ABSTRACT_PUBMED_12945769}}

	==About this Structure==		==About this Structure==
Line 23:		Line 23:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~12958317~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:12945769</ref><references group="xtra"/>
	[[Category: Mycobacterium tuberculosis]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Arad, D.]]		[[Category: Arad, D.]]
Line 42:		Line 42:
	[[Category: Zinc aminohydrolase]]		[[Category: Zinc aminohydrolase]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Oct 28 14:09:21 2009''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Oct 28 21:02:27 2009''