4kz7 - Revision history

OCA at 16:07, 20 September 2023

OCA — Wed, 20 Sep 2023 16:07:42 GMT

←Older revision		Revision as of 16:07, 20 September 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4kz7]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KZ7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KZ7 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4kz7]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KZ7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KZ7 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1U5:(1R,4S)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC+ACID'>1U5</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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]] 1.43Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1U5:(1R,4S)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC+ACID'>1U5</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [https://pdbe.org/4kz7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [https://www.ebi.ac.uk/pdbsum/4kz7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kz7 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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [https://pdbe.org/4kz7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [https://www.ebi.ac.uk/pdbsum/4kz7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kz7 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 09:22, 7 December 2022

OCA — Wed, 07 Dec 2022 09:22:31 GMT

←Older revision		Revision as of 09:22, 7 December 2022
Line 3:		Line 3:
	<StructureSection load='4kz7' size='340' side='right'caption='[[4kz7]], [[Resolution\|resolution]] 1.43Å' scene=''>		<StructureSection load='4kz7' size='340' side='right'caption='[[4kz7]], [[Resolution\|resolution]] 1.43Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4kz7]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Ecoli Ecoli~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KZ7 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4KZ7 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4kz7]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KZ7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KZ7 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1U5:(1R,4S)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC+ACID'>1U5</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1U5:(1R,4S)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC+ACID'>1U5</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kz3\|4kz3]], [[4kz4\|4kz4]], [[4kz5\|4kz5]], [[4kz6\|4kz6]], [[4kz8\|4kz8]], [[4kz9\|4kz9]], [[4kza\|4kza]], [[4kzb\|4kzb]]</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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [https://pdbe.org/4kz7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [https://www.ebi.ac.uk/pdbsum/4kz7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kz7 ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ampA, ampC, b4150, JW4111 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [~~http~~://pdbe.org/4kz7 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4kz7 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4kz7 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/AMPC_ECOLI AMPC_ECOLI]] This protein is a serine beta-lactamase with a substrate specificity for cephalosporins.	+	[https://www.uniprot.org/uniprot/AMPC_ECOLI AMPC_ECOLI] This protein is a serine beta-lactamase with a substrate specificity for cephalosporins.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 20:

	==See Also==		==See Also==
-	*[[Beta-lactamase\|Beta-lactamase]]	+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Beta~~-~~lactamase]]~~	+	[[Category: Escherichia coli K-12]]
-	~~[[Category: Ecoli~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Barelier, S]]	+	[[Category: Barelier S]]
-	[[Category: Eidam, O]]	+	[[Category: Eidam O]]
-	[[Category: Fish, I]]	+	[[Category: Fish I]]
-	[[Category: Shoichet~~, B K]]~~	+	[[Category: Shoichet BK]]
-	~~[[Category: Ampc beta-lactamase]]~~	+
-	~~[[Category: Cephalosporinase]]~~	+
-	~~[[Category: Class c]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex~~]]	+

OCA at 08:43, 3 April 2019

OCA — Wed, 03 Apr 2019 08:43:55 GMT

←Older revision		Revision as of 08:43, 3 April 2019
Line 1:		Line 1:

	==Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)==		==Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)==
-	<StructureSection load='4kz7' size='340' side='right' caption='[[4kz7]], [[Resolution\|resolution]] 1.43Å' scene=''>	+	<StructureSection load='4kz7' size='340' side='right'caption='[[4kz7]], [[Resolution\|resolution]] 1.43Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4kz7]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KZ7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KZ7 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4kz7]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Ecoli Ecoli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KZ7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KZ7 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1U5:(1R,4S)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC+ACID'>1U5</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1U5:(1R,4S)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC+ACID'>1U5</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kz3\|4kz3]], [[4kz4\|4kz4]], [[4kz5\|4kz5]], [[4kz6\|4kz6]], [[4kz8\|4kz8]], [[4kz9\|4kz9]], [[4kza\|4kza]], [[4kzb\|4kzb]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kz3\|4kz3]], [[4kz4\|4kz4]], [[4kz5\|4kz5]], [[4kz6\|4kz6]], [[4kz8\|4kz8]], [[4kz9\|4kz9]], [[4kza\|4kza]], [[4kzb\|4kzb]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ampA, ampC, b4150, JW4111 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [http://pdbe.org/4kz7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [http://www.ebi.ac.uk/pdbsum/4kz7 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4kz7 ProSAT]</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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [http://pdbe.org/4kz7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [http://www.ebi.ac.uk/pdbsum/4kz7 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4kz7 ProSAT]</span></td></tr>
Line 28:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
		+	[[Category: Ecoli]]
		+	[[Category: Large Structures]]
	[[Category: Barelier, S]]		[[Category: Barelier, S]]
	[[Category: Eidam, O]]		[[Category: Eidam, O]]

OCA at 21:11, 5 August 2016

OCA — Fri, 05 Aug 2016 21:11:36 GMT

←Older revision		Revision as of 21:11, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)==		==Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)==
	<StructureSection load='4kz7' size='340' side='right' caption='[[4kz7]], [[Resolution\|resolution]] 1.43Å' scene=''>		<StructureSection load='4kz7' size='340' side='right' caption='[[4kz7]], [[Resolution\|resolution]] 1.43Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kz3\|4kz3]], [[4kz4\|4kz4]], [[4kz5\|4kz5]], [[4kz6\|4kz6]], [[4kz8\|4kz8]], [[4kz9\|4kz9]], [[4kza\|4kza]], [[4kzb\|4kzb]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kz3\|4kz3]], [[4kz4\|4kz4]], [[4kz5\|4kz5]], [[4kz6\|4kz6]], [[4kz8\|4kz8]], [[4kz9\|4kz9]], [[4kza\|4kza]], [[4kzb\|4kzb]]</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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [http://www.ebi.ac.uk/pdbsum/4kz7 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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [http://pdbe.org/4kz7 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [http://www.ebi.ac.uk/pdbsum/4kz7 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4kz7 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 4kz7" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase\|Beta-lactamase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 05:55, 25 December 2014

OCA — Thu, 25 Dec 2014 05:55:12 GMT

←Older revision		Revision as of 05:55, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4kz7]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KZ7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KZ7 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4kz7]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KZ7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KZ7 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1U5:(1R,4S)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC+ACID'>1U5</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1U5:(1R,4S)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC+ACID'>1U5</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kz3\|4kz3]], [[4kz4\|4kz4]], [[4kz5\|4kz5]], [[4kz6\|4kz6]], [[4kz8\|4kz8]], [[4kz9\|4kz9]], [[4kza\|4kza]], [[4kzb\|4kzb]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kz3\|4kz3]], [[4kz4\|4kz4]], [[4kz5\|4kz5]], [[4kz6\|4kz6]], [[4kz8\|4kz8]], [[4kz9\|4kz9]], [[4kza\|4kza]], [[4kzb\|4kzb]]</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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [http://www.ebi.ac.uk/pdbsum/4kz7 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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [http://www.ebi.ac.uk/pdbsum/4kz7 PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/AMPC_ECOLI AMPC_ECOLI]] This protein is a serine beta-lactamase with a substrate specificity for cephalosporins.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 21:		Line 23:
	</StructureSection>		</StructureSection>
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
-	[[Category: Barelier, S.]]	+	[[Category: Barelier, S]]
-	[[Category: Eidam, O.]]	+	[[Category: Eidam, O]]
-	[[Category: Fish, I.]]	+	[[Category: Fish, I]]
-	[[Category: Shoichet, B K.]]	+	[[Category: Shoichet, B K]]
	[[Category: Ampc beta-lactamase]]		[[Category: Ampc beta-lactamase]]
	[[Category: Cephalosporinase]]		[[Category: Cephalosporinase]]

OCA at 06:36, 30 July 2014

OCA — Wed, 30 Jul 2014 06:36:25 GMT

←Older revision		Revision as of 06:36, 30 July 2014
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	Increasing chemical space coverage by combining empirical and computational fragment screens.,Barelier S, Eidam O, Fish I, Hollander J, Figaroa F, Nachane R, Irwin JJ, Shoichet BK, Siegal GD ACS Chem Biol. 2014 May 7. PMID:24807704<ref>PMID:24807704</ref>		Increasing chemical space coverage by combining empirical and computational fragment screens.,Barelier S, Eidam O, Fish I, Hollander J, Figaroa F, Nachane R, Irwin JJ, Shoichet BK, Siegal GD ACS Chem Biol. 2014 May 7. PMID:24807704<ref>PMID:24807704</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>
	== References ==		== References ==

OCA at 09:05, 21 May 2014

OCA — Wed, 21 May 2014 09:05:40 GMT

←Older revision		Revision as of 09:05, 21 May 2014
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-	'''~~Unreleased~~ structure'''	+	==Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)==
		+	<StructureSection load='4kz7' size='340' side='right' caption='[[4kz7]], [[Resolution\|resolution]] 1.43Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4kz7]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KZ7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4KZ7 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1U5:(1R,4S)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC+ACID'>1U5</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kz3\|4kz3]], [[4kz4\|4kz4]], [[4kz5\|4kz5]], [[4kz6\|4kz6]], [[4kz8\|4kz8]], [[4kz9\|4kz9]], [[4kza\|4kza]], [[4kzb\|4kzb]]</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=4kz7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kz7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4kz7 RCSB], [http://www.ebi.ac.uk/pdbsum/4kz7 PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Most libraries for fragment-based drug discovery are restricted to 1,000 to 10,000 compounds, but over 700,000 fragments are commercially available and potentially accessible by virtual screening. Whether this larger set would increase chemotype coverage, and whether a computational screen can pragmatically prioritize them, is debated. To investigate this question, a 1281 fragment library was screened by Nuclear Magnetic Resonance (NMR) against AmpC beta-lactamase and hits confirmed by Surface Plasmon Resonance (SPR). Nine hits with novel chemotypes were confirmed biochemically with KI values from 0.2 to low mM. We also computationally docked 290,000 purchasable fragments with chemotypes unrepresented in the empirical library, finding ten that had KI values from 0.03 to low mM. Though less novel than those discovered by NMR, the docking-derived fragments filled chemotype holes from the empirical library. Crystal structures of nine of the fragments in complex with AmpC beta-lactamase revealed new binding sites, and explained the relatively high-affinity of the docking-derived fragments. The existence of chemotype holes is likely a general feature of fragment libraries, as calculation suggests that to represent the fragment substructures of even known biogenic molecules, would minimally demand a library of over 32,000 fragments. Combining computational and empirical fragment screens enables the discovery of unexpected chemotypes, here by the NMR screen, while capturing chemotypes missing from the empirical library and tailored to the target, with little extra cost in resources.

-	~~The entry 4kz7 is ON HOLD until Paper Publication~~	+	Increasing chemical space coverage by combining empirical and computational fragment screens.,Barelier S, Eidam O, Fish I, Hollander J, Figaroa F, Nachane R, Irwin JJ, Shoichet BK, Siegal GD ACS Chem Biol. 2014 May 7. PMID:24807704<ref>PMID:24807704</ref>

-	~~Authors: Eidam~~, O., Barelier, S., Fish, I., Shoichet, B.K.	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of AmpC~~ beta-lactamase ~~in complex with fragment 9 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo~~[~~2.2.1~~]~~heptane~~-~~1-carboxylic acid)~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Beta-lactamase]]
		+	[[Category: Barelier, S.]]
		+	[[Category: Eidam, O.]]
		+	[[Category: Fish, I.]]
		+	[[Category: Shoichet, B K.]]
		+	[[Category: Ampc beta-lactamase]]
		+	[[Category: Cephalosporinase]]
		+	[[Category: Class c]]
		+	[[Category: Hydrolase]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]

OCA at 08:56, 30 June 2013

OCA — Sun, 30 Jun 2013 08:56:32 GMT

←Older revision		Revision as of 08:56, 30 June 2013
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4kz7 is ON HOLD	+	The entry 4kz7 is ON HOLD until Paper Publication

	Authors: Eidam, O., Barelier, S., Fish, I., Shoichet, B.K.		Authors: Eidam, O., Barelier, S., Fish, I., Shoichet, B.K.

-	Description: Crystal structure of AmpC beta-lactamase in complex with fragment 9 (4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-~~carboxylate~~)	+	Description: Crystal structure of AmpC beta-lactamase in complex with fragment 9 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid)

OCA: Protected "4kz7" [edit=sysop:move=sysop]

OCA — Wed, 19 Jun 2013 12:15:47 GMT

Protected "4kz7" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:15, 19 June 2013

OCA: New page: '''Unreleased structure''' The entry 4kz7 is ON HOLD Authors: Eidam, O., Barelier, S., Fish, I., Shoichet, B.K. Description: Crystal structure of AmpC beta-lactamase in complex with fr...

OCA — Wed, 19 Jun 2013 12:15:45 GMT

New page: '''Unreleased structure''' The entry 4kz7 is ON HOLD Authors: Eidam, O., Barelier, S., Fish, I., Shoichet, B.K. Description: Crystal structure of AmpC beta-lactamase in complex with fr...

New page

'''Unreleased structure'''

The entry 4kz7 is ON HOLD

Authors: Eidam, O., Barelier, S., Fish, I., Shoichet, B.K.

Description: Crystal structure of AmpC beta-lactamase in complex with fragment 9 (4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate)