3g35 - Revision history

OCA at 06:58, 6 September 2023

2023-09-06T06:58:28Z

←Older revision		Revision as of 06:58, 6 September 2023
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	<StructureSection load='3g35' size='340' side='right'caption='[[3g35]], [[Resolution\|resolution]] 1.41Å' scene=''>		<StructureSection load='3g35' size='340' side='right'caption='[[3g35]], [[Resolution\|resolution]] 1.41Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3g35]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~"bacillus_coli"_migula_1895 "bacillus~~ coli~~" migula 1895~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G35 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3g35]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G35 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>~~, ~~<scene name='pdbligand=F13:3-FLUORO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]BENZAMIDE'>F13</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]] 1.41Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[3g2y\|3g2y]], [[3g2z\|3g2z]], [[3g30\|3g30]], [[3g31\|3g31]], [[3g32\|3g32]], [[3g34\|3g34]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F13:3-FLUORO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]BENZAMIDE'>F13</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>blaCTX-M-9, blaCTX-M-9a, CTX-M ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~562~~ "~~Bacillus coli~~" ~~Migula 1895])</td~~><~~/tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Beta~~-~~lactamase Beta~~-~~lactamase], with EC number~~ [~~https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=3.~~5~~.2.6 3.5.2.6~~] </~~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=3g35 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g35 OCA], [https://pdbe.org/3g35 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g35 RCSB], [https://www.ebi.ac.uk/pdbsum/3g35 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g35 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=3g35 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g35 OCA], [https://pdbe.org/3g35 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g35 RCSB], [https://www.ebi.ac.uk/pdbsum/3g35 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g35 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q9L5C8_ECOLX Q9L5C8_ECOLX]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bacillus~~ coli ~~migula 1895]]~~	+	[[Category: Escherichia coli]]
-	~~[[Category: Beta-lactamase~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chen, Y]]	+	[[Category: Chen Y]]
-	[[Category: Shoichet~~, B K]]~~	+	[[Category: Shoichet BK]]
-	~~[[Category: Antibiotic resistance]]~~	+
-	~~[[Category: Ctx-m]]~~	+
-	~~[[Category: Fragment]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Molecular docking]]~~	+
-	~~[[Category: Plasmid~~]]	+

OCA at 07:54, 9 March 2022

2022-03-09T07:54:36Z

←Older revision		Revision as of 07:54, 9 March 2022
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	==CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)==		==CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)==
-	<StructureSection load='3g35' size='340' side='right' caption='[[3g35]], [[Resolution\|resolution]] 1.41Å' scene=''>	+	<StructureSection load='3g35' size='340' side='right'caption='[[3g35]], [[Resolution\|resolution]] 1.41Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3g35]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3G35 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3g35]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G35 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F13:3-FLUORO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]BENZAMIDE'>F13</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F13:3-FLUORO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]BENZAMIDE'>F13</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3g2y\|3g2y]], [[3g2z\|3g2z]], [[3g30\|3g30]], [[3g31\|3g31]], [[3g32\|3g32]], [[3g34\|3g34]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3g2y\|3g2y]], [[3g2z\|3g2z]], [[3g30\|3g30]], [[3g31\|3g31]], [[3g32\|3g32]], [[3g34\|3g34]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaCTX-M-9, blaCTX-M-9a, CTX-M ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 "Bacillus coli" Migula 1895])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaCTX-M-9, blaCTX-M-9a, CTX-M ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 "Bacillus coli" Migula 1895])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </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=3g35 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g35 OCA], [~~http~~://pdbe.org/3g35 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3g35 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3g35 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3g35 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=3g35 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g35 OCA], [https://pdbe.org/3g35 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g35 RCSB], [https://www.ebi.ac.uk/pdbsum/3g35 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g35 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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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/g3/3g35_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/g3/3g35_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 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 3g35" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3g35" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 35:		Line 38:
	[[Category: Bacillus coli migula 1895]]		[[Category: Bacillus coli migula 1895]]
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
		+	[[Category: Large Structures]]
	[[Category: Chen, Y]]		[[Category: Chen, Y]]
	[[Category: Shoichet, B K]]		[[Category: Shoichet, B K]]

OCA at 06:55, 1 November 2017

2017-11-01T06:55:51Z

←Older revision		Revision as of 06:55, 1 November 2017
Line 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 3g35" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3g35" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Beta-lactamase\|Beta-lactamase]]
	== References ==		== References ==
	<references/>		<references/>
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	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Molecular docking]]		[[Category: Molecular docking]]
		+	[[Category: Plasmid]]

OCA at 21:07, 11 August 2016

2016-08-11T21:07:12Z

←Older revision		Revision as of 21:07, 11 August 2016
Line 1:		Line 1:
		+
	==CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)==		==CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)==
	<StructureSection load='3g35' size='340' side='right' caption='[[3g35]], [[Resolution\|resolution]] 1.41Å' scene=''>		<StructureSection load='3g35' size='340' side='right' caption='[[3g35]], [[Resolution\|resolution]] 1.41Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3g35]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Escherichia_coli Escherichia~~ coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3G35 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3g35]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3G35 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F13:3-FLUORO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]BENZAMIDE'>F13</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F13:3-FLUORO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]BENZAMIDE'>F13</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3g2y\|3g2y]], [[3g2z\|3g2z]], [[3g30\|3g30]], [[3g31\|3g31]], [[3g32\|3g32]], [[3g34\|3g34]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3g2y\|3g2y]], [[3g2z\|3g2z]], [[3g30\|3g30]], [[3g31\|3g31]], [[3g32\|3g32]], [[3g34\|3g34]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaCTX-M-9, blaCTX-M-9a, CTX-M ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 ~~Escherichia~~ coli])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaCTX-M-9, blaCTX-M-9a, CTX-M ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 "Bacillus coli" Migula 1895])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </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-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </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=3g35 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g35 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3g35 RCSB], [http://www.ebi.ac.uk/pdbsum/3g35 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=3g35 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g35 OCA], [http://pdbe.org/3g35 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3g35 RCSB], [http://www.ebi.ac.uk/pdbsum/3g35 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3g35 ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3g35 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3g35" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 34:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bacillus coli migula 1895]]
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
-	[[Category: Escherichia coli]]
	[[Category: Chen, Y]]		[[Category: Chen, Y]]
	[[Category: Shoichet, B K]]		[[Category: Shoichet, B K]]

OCA at 11:35, 20 January 2015

2015-01-20T11:35:47Z

←Older revision		Revision as of 11:35, 20 January 2015
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3g35]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3G35 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3g35]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3G35 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F13:3-FLUORO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]BENZAMIDE'>F13</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F13:3-FLUORO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]BENZAMIDE'>F13</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3g2y\|3g2y]], [[3g2z\|3g2z]], [[3g30\|3g30]], [[3g31\|3g31]], [[3g32\|3g32]], [[3g34\|3g34]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3g2y\|3g2y]], [[3g2z\|3g2z]], [[3g30\|3g30]], [[3g31\|3g31]], [[3g32\|3g32]], [[3g34\|3g34]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaCTX-M-9, blaCTX-M-9a, CTX-M ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaCTX-M-9, blaCTX-M-9a, CTX-M ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </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-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3g35 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g35 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3g35 RCSB], [http://www.ebi.ac.uk/pdbsum/3g35 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=3g35 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g35 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3g35 RCSB], [http://www.ebi.ac.uk/pdbsum/3g35 PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 36:		Line 36:
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
-	[[Category: Chen, Y.]]	+	[[Category: Chen, Y]]
-	[[Category: Shoichet, B K.]]	+	[[Category: Shoichet, B K]]
	[[Category: Antibiotic resistance]]		[[Category: Antibiotic resistance]]
-	[[Category: Beta-lactamase]]
	[[Category: Ctx-m]]		[[Category: Ctx-m]]
	[[Category: Fragment]]		[[Category: Fragment]]

OCA at 13:20, 29 September 2014

2014-09-29T13:20:08Z

←Older revision		Revision as of 13:20, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~3g35.~~png~~\|~~left~~\|200px]]	+	==CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)==
		+	<StructureSection load='3g35' size='340' side='right' caption='[[3g35]], [[Resolution\|resolution]] 1.41Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3g35]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3G35 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=F13:3-FLUORO-N-[3-(1H-TETRAZOL-5-YL)PHENYL]BENZAMIDE'>F13</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3g2y\|3g2y]], [[3g2z\|3g2z]], [[3g30\|3g30]], [[3g31\|3g31]], [[3g32\|3g32]], [[3g34\|3g34]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaCTX-M-9, blaCTX-M-9a, CTX-M ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3g35 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g35 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3g35 RCSB], [http://www.ebi.ac.uk/pdbsum/3g35 PDBsum]</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/g3/3g35_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 ==
		+	Fragment screens have successfully identified new scaffolds in drug discovery, often with relatively high hit rates (5%) using small screening libraries (1,000-10,000 compounds). This raises two questions: would other noteworthy chemotypes be found were one to screen all commercially available fragments (>300,000), and does the success rate imply low specificity of fragments? We used molecular docking to screen large libraries of fragments against CTX-M beta-lactamase. We identified ten millimolar-range inhibitors from the 69 compounds tested. The docking poses corresponded closely to the crystallographic structures subsequently determined. Notably, these initial low-affinity hits showed little specificity between CTX-M and an unrelated beta-lactamase, AmpC, which is unusual among beta-lactamase inhibitors. This is consistent with the idea that the high hit rates among fragments correlate to a low initial specificity. As the inhibitors were progressed, both specificity and affinity rose together, yielding to our knowledge the first micromolar-range noncovalent inhibitors against a class A beta-lactamase.

-	~~{{STRUCTURE_3g35\| PDB=3g35 \| SCENE= }}~~	+	Molecular docking and ligand specificity in fragment-based inhibitor discovery.,Chen Y, Shoichet BK Nat Chem Biol. 2009 May;5(5):358-64. Epub 2009 Mar 22. PMID:19305397<ref>PMID:19305397</ref>

-	~~===CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19305397}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3g35]] is~~ a ~~2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Escherichia_coli Escherichia coli]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA].~~	+

	==See Also==		==See Also==
	*[[Beta-lactamase\|Beta-lactamase]]		*[[Beta-lactamase\|Beta-lactamase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:019305397<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]

OCA at 22:31, 20 October 2012

2012-10-20T22:31:10Z

←Older revision		Revision as of 22:31, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3g35]] is a 2 chain structure ~~of [[Beta-lactamase]]~~ with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA].	+	[[3g35]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA].

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

OCA: Protected "3g35" [edit=sysop:move=sysop]

2012-07-27T16:34:06Z

Protected "3g35" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:34, 27 July 2012

OCA at 16:34, 27 July 2012

2012-07-27T16:34:05Z

←Older revision		Revision as of 16:34, 27 July 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:3g35.png\|left\|200px]]		[[Image:3g35.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3g35", 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_3g35\| PDB=3g35 \| SCENE= }}		{{STRUCTURE_3g35\| PDB=3g35 \| SCENE= }}

	===CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)===		===CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19305397}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19305397 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19305397}}		{{ABSTRACT_PUBMED_19305397}}

	==About this Structure==		==About this Structure==
-	~~3G35~~ is a 2 ~~chains~~ structure of ~~sequences~~ from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA].	+	[[3g35]] is a 2 chain structure of [[Beta-lactamase]] with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA].
		+
		+	==See Also==
		+	*[[Beta-lactamase\|Beta-lactamase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19305397~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019305397</ref><references group="xtra"/>
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
Line 33:		Line 24:
	[[Category: Fragment]]		[[Category: Fragment]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
-	[[Category: Hydrolase/hydrolase inhibitor complex]]	+	[[Category: Hydrolase-hydrolase inhibitor complex]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Molecular docking]]		[[Category: Molecular docking]]
-	[[Category: Plasmid]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 6 09:22:56 2009''

OCA at 06:22, 6 May 2009

2009-05-06T06:22:56Z

←Older revision		Revision as of 06:22, 6 May 2009
Line 1:		Line 1:
	{{Seed}}		{{Seed}}
-	[[Image:3g35.~~jpg~~\|left\|200px]]	+	[[Image:3g35.png\|left\|200px]]

	<!--		<!--
Line 12:		Line 12:
	===CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)===		===CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_19305397}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 19305397 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_19305397}}

	==About this Structure==		==About this Structure==
	3G35 is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA].		3G35 is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G35 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:19305397</ref><references group="xtra"/>
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
	[[Category: Escherichia coli]]		[[Category: Escherichia coli]]
Line 29:		Line 38:
	[[Category: Plasmid]]		[[Category: Plasmid]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Mar 25 12~~:39:51 2009''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 6 09:22:56 2009''