4c1h - Revision history

OCA at 12:01, 20 December 2023

OCA — Wed, 20 Dec 2023 12:01:42 GMT

←Older revision		Revision as of 12:01, 20 December 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_cereus Bacillus cereus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C1H FirstGlance]. <br>		<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_cereus Bacillus cereus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C1H FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</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]] 1.1Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</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'>[https://proteopedia.org/fgij/fg.htm?mol=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [https://pdbe.org/4c1h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [https://www.ebi.ac.uk/pdbsum/4c1h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c1h 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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [https://pdbe.org/4c1h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [https://www.ebi.ac.uk/pdbsum/4c1h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c1h ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE]] Can hydrolyze carbapenem compounds.	+	[https://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE] Can hydrolyze carbapenem compounds.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	beta-Lactams are the most successful antibacterials, but their effectiveness is threatened by resistance, most importantly by production of serine- and metallo-beta-lactamases (MBLs). MBLs are of increasing concern because they catalyse the hydrolysis of almost all beta-lactam antibiotics, including recent generation carbapenems. Clinically useful serine-beta-lactamase inhibitors have been developed, but such inhibitors are not available for MBLs. l-Captopril, used to treat hypertension via angiotensin-converting enzyme inhibition, has been reported to inhibit MBLs by chelating to the active site zinc ions via its thiol(ate). We report systematic studies on B1 MBL inhibition by all four captopril stereoisomers. High resolution crystal structures of three MBLs (IMP-1, BcII and VIM-2) in complex with either l-or d-captopril stereoisomers reveal correlations between the binding modes and inhibition potency. The results will be useful in the design of MBL inhibitors with the breadth of selectivity required for clinical application against carbapenem-resistant Enterobacteriaceae and other MBL mediated resistant infections.
		+
		+	Structural basis of metallo-beta-lactamase inhibition by captopril stereoisomers.,Brem J, van Berkel SS, Zollman D, Lee SY, Gileadi O, McHugh PJ, Walsh TR, McDonough MA, Schofield CJ Antimicrob Agents Chemother. 2015 Oct 19. pii: AAC.01335-15. PMID:26482303<ref>PMID:26482303</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 4c1h" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]		*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 17:20, 7 September 2022

OCA — Wed, 07 Sep 2022 17:20:33 GMT

←Older revision		Revision as of 17:20, 7 September 2022
Line 3:		Line 3:
	<StructureSection load='4c1h' size='340' side='right'caption='[[4c1h]], [[Resolution\|resolution]] 1.10Å' scene=''>		<StructureSection load='4c1h' size='340' side='right'caption='[[4c1h]], [[Resolution\|resolution]] 1.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Atcc_14579 Atcc 14579~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4C1H FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_cereus Bacillus cereus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C1H FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bz3\|4bz3]], [[4c09\|4c09]], [[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [https://pdbe.org/4c1h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [https://www.ebi.ac.uk/pdbsum/4c1h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c1h ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [~~http~~://pdbe.org/4c1h PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4c1h PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4c1h ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE]] Can hydrolyze carbapenem compounds.	+	[[https://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE]] Can hydrolyze carbapenem compounds.
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	beta-Lactams are the most successful antibacterials, but their effectiveness is threatened by resistance, most importantly by production of serine- and metallo-beta-lactamases (MBLs). MBLs are of increasing concern because they catalyse the hydrolysis of almost all beta-lactam antibiotics, including recent generation carbapenems. Clinically useful serine-beta-lactamase inhibitors have been developed, but such inhibitors are not available for MBLs. l-Captopril, used to treat hypertension via angiotensin-converting enzyme inhibition, has been reported to inhibit MBLs by chelating to the active site zinc ions via its thiol(ate). We report systematic studies on B1 MBL inhibition by all four captopril stereoisomers. High resolution crystal structures of three MBLs (IMP-1, BcII and VIM-2) in complex with either l-or d-captopril stereoisomers reveal correlations between the binding modes and inhibition potency. The results will be useful in the design of MBL inhibitors with the breadth of selectivity required for clinical application against carbapenem-resistant Enterobacteriaceae and other MBL mediated resistant infections.	+
-		+
-	Structural basis of metallo-beta-lactamase inhibition by captopril stereoisomers.,Brem J, van Berkel SS, Zollman D, Lee SY, Gileadi O, McHugh PJ, Walsh TR, McDonough MA, Schofield CJ Antimicrob Agents Chemother. 2015 Oct 19. pii: AAC.01335-15. PMID:26482303<ref>PMID:26482303</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 4c1h" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]		*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Atcc 14579]]~~	+	[[Category: Bacillus cereus]]
-	~~[[Category: Beta-lactamase~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Berkel, S S.van]]~~	+	[[Category: Brem J]]
-	[[Category: Brem, J]]	+	[[Category: McDonough MA]]
-	[[Category: McDonough~~, M A~~]]	+	[[Category: Schofield CJ]]
-	[[Category: Schofield~~, C J~~]]	+	[[Category: Zollman D]]
-	[[Category: Zollman, D]]	+	[[Category: Van Berkel SS]]
-	[[Category: ~~Antibiotic resistance]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Mbl]]~~	+
-	~~[[Category: Metallo-beta-lactamase~~]]	+

OCA at 17:08, 29 January 2020

OCA — Wed, 29 Jan 2020 17:08:00 GMT

←Older revision		Revision as of 17:08, 29 January 2020
Line 1:		Line 1:

	==Crystal structure of the metallo-beta-lactamase BCII with L-captopril==		==Crystal structure of the metallo-beta-lactamase BCII with L-captopril==
-	<StructureSection load='4c1h' size='340' side='right' caption='[[4c1h]], [[Resolution\|resolution]] 1.10Å' scene=''>	+	<StructureSection load='4c1h' size='340' side='right'caption='[[4c1h]], [[Resolution\|resolution]] 1.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_14579 Atcc 14579]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C1H FirstGlance]. <br>		<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_14579 Atcc 14579]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C1H FirstGlance]. <br>
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 4c1h" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4c1h" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 26:		Line 29:
	[[Category: Atcc 14579]]		[[Category: Atcc 14579]]
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
		+	[[Category: Large Structures]]
	[[Category: Berkel, S S.van]]		[[Category: Berkel, S S.van]]
	[[Category: Brem, J]]		[[Category: Brem, J]]

OCA at 07:36, 22 February 2018

OCA — Thu, 22 Feb 2018 07:36:36 GMT

←Older revision		Revision as of 07:36, 22 February 2018
Line 1:		Line 1:
		+
	==Crystal structure of the metallo-beta-lactamase BCII with L-captopril==		==Crystal structure of the metallo-beta-lactamase BCII with L-captopril==
	<StructureSection load='4c1h' size='340' side='right' caption='[[4c1h]], [[Resolution\|resolution]] 1.10Å' scene=''>		<StructureSection load='4c1h' size='340' side='right' caption='[[4c1h]], [[Resolution\|resolution]] 1.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C1H FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_14579 Atcc 14579]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C1H FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bz3\|4bz3]], [[4c09\|4c09]], [[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bz3\|4bz3]], [[4c09\|4c09]], [[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [http://pdbe.org/4c1h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [http://www.ebi.ac.uk/pdbsum/4c1h 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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [http://pdbe.org/4c1h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [http://www.ebi.ac.uk/pdbsum/4c1h PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4c1h ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 4c1h" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4c1h" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Beta-lactamase\|Beta-lactamase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Atcc 14579]]
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
		+	[[Category: Berkel, S S.van]]
	[[Category: Brem, J]]		[[Category: Brem, J]]
	[[Category: McDonough, M A]]		[[Category: McDonough, M A]]
	[[Category: Schofield, C J]]		[[Category: Schofield, C J]]
	[[Category: Zollman, D]]		[[Category: Zollman, D]]
-	[[Category: VanBerkel, S S]]
	[[Category: Antibiotic resistance]]		[[Category: Antibiotic resistance]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Mbl]]		[[Category: Mbl]]
	[[Category: Metallo-beta-lactamase]]		[[Category: Metallo-beta-lactamase]]

OCA at 20:44, 30 November 2015

OCA — Mon, 30 Nov 2015 20:44:01 GMT

←Older revision		Revision as of 20:44, 30 November 2015
Line 6:		Line 6:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bz3\|4bz3]], [[4c09\|4c09]], [[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bz3\|4bz3]], [[4c09\|4c09]], [[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [http://www.ebi.ac.uk/pdbsum/4c1h 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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [http://pdbe.org/4c1h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [http://www.ebi.ac.uk/pdbsum/4c1h PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE]] Can hydrolyze carbapenem compounds.		[[http://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE]] Can hydrolyze carbapenem compounds.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	beta-Lactams are the most successful antibacterials, but their effectiveness is threatened by resistance, most importantly by production of serine- and metallo-beta-lactamases (MBLs). MBLs are of increasing concern because they catalyse the hydrolysis of almost all beta-lactam antibiotics, including recent generation carbapenems. Clinically useful serine-beta-lactamase inhibitors have been developed, but such inhibitors are not available for MBLs. l-Captopril, used to treat hypertension via angiotensin-converting enzyme inhibition, has been reported to inhibit MBLs by chelating to the active site zinc ions via its thiol(ate). We report systematic studies on B1 MBL inhibition by all four captopril stereoisomers. High resolution crystal structures of three MBLs (IMP-1, BcII and VIM-2) in complex with either l-or d-captopril stereoisomers reveal correlations between the binding modes and inhibition potency. The results will be useful in the design of MBL inhibitors with the breadth of selectivity required for clinical application against carbapenem-resistant Enterobacteriaceae and other MBL mediated resistant infections.
		+
		+	Structural basis of metallo-beta-lactamase inhibition by captopril stereoisomers.,Brem J, van Berkel SS, Zollman D, Lee SY, Gileadi O, McHugh PJ, Walsh TR, McDonough MA, Schofield CJ Antimicrob Agents Chemother. 2015 Oct 19. pii: AAC.01335-15. PMID:26482303<ref>PMID:26482303</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 4c1h" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Beta-lactamase\|Beta-lactamase]]		*[[Beta-lactamase\|Beta-lactamase]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 11:55, 18 March 2015

OCA — Wed, 18 Mar 2015 11:55:14 GMT

←Older revision		Revision as of 11:55, 18 March 2015
Line 10:		Line 10:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE]] Can hydrolyze carbapenem compounds.		[[http://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE]] Can hydrolyze carbapenem compounds.
		+
		+	==See Also==
		+	*[[Beta-lactamase\|Beta-lactamase]]
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 21:15, 24 December 2014

OCA — Wed, 24 Dec 2014 21:15:33 GMT

←Older revision		Revision as of 21:15, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C1H FirstGlance]. <br>		<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C1H FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bz3\|4bz3]], [[4c09\|4c09]], [[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bz3\|4bz3]], [[4c09\|4c09]], [[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [http://www.ebi.ac.uk/pdbsum/4c1h 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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [http://www.ebi.ac.uk/pdbsum/4c1h PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE]] Can hydrolyze carbapenem compounds.
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
-	[[Category: Brem, J.]]	+	[[Category: Brem, J]]
-	[[Category: McDonough, M A.]]	+	[[Category: McDonough, M A]]
-	[[Category: Schofield, C J.]]	+	[[Category: Schofield, C J]]
-	[[Category: Zollman, D.]]	+	[[Category: Zollman, D]]
-	[[Category: VanBerkel, S S.]]	+	[[Category: VanBerkel, S S]]
	[[Category: Antibiotic resistance]]		[[Category: Antibiotic resistance]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Mbl]]		[[Category: Mbl]]
	[[Category: Metallo-beta-lactamase]]		[[Category: Metallo-beta-lactamase]]

OCA at 06:35, 24 September 2014

OCA — Wed, 24 Sep 2014 06:35:43 GMT

←Older revision		Revision as of 06:35, 24 September 2014
Line 1:		Line 1:
-	==Crystal structure of a beta lactamase ~~in complex~~ with ~~an inhibitor~~==	+	==Crystal structure of the metallo-beta-lactamase BCII with L-captopril==
	<StructureSection load='4c1h' size='340' side='right' caption='[[4c1h]], [[Resolution\|resolution]] 1.10Å' scene=''>		<StructureSection load='4c1h' size='340' side='right' caption='[[4c1h]], [[Resolution\|resolution]] 1.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C1H FirstGlance]. <br>		<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C1H FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>		</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</td></tr>	+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bz3\|4bz3]], [[4c09\|4c09]], [[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</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>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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [http://www.ebi.ac.uk/pdbsum/4c1h PDBsum]</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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [http://www.ebi.ac.uk/pdbsum/4c1h PDBsum]</span></td></tr>

OCA at 08:48, 27 August 2014

OCA — Wed, 27 Aug 2014 08:48:02 GMT

←Older revision		Revision as of 08:48, 27 August 2014
Line 1:		Line 1:
-	'''~~Unreleased structure~~'''	+	==Crystal structure of a beta lactamase in complex with an inhibitor==
-		+	<StructureSection load='4c1h' size='340' side='right' caption='[[4c1h]], [[Resolution\|resolution]] 1.10Å' scene=''>
-	~~The entry~~ 4c1h is ~~ON HOLD until Paper Publication~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[4c1h]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C1H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C1H FirstGlance]. <br>
-	~~Authors~~: ~~Zollman~~, D., ~~Brem~~, J., ~~McDonough~~, M.A., ~~vanBerkel~~, S.S., Schofield, C.J.	+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8Z:L-CAPTOPRIL'>X8Z</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
-		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c1c\|4c1c]], [[4c1d\|4c1d]], [[4c1e\|4c1e]], [[4c1f\|4c1f]], [[4c1g\|4c1g]]</td></tr>
-	~~Description~~: ~~Crystal structure of a~~ beta lactamase ~~in complex with an inhibitor~~	+	<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=4c1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c1h OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4c1h RCSB], [http://www.ebi.ac.uk/pdbsum/4c1h PDBsum]</span></td></tr>
		+	<table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Beta-lactamase]]
		+	[[Category: Brem, J.]]
		+	[[Category: McDonough, M A.]]
		+	[[Category: Schofield, C J.]]
		+	[[Category: Zollman, D.]]
		+	[[Category: VanBerkel, S S.]]
		+	[[Category: Antibiotic resistance]]
		+	[[Category: Hydrolase]]
		+	[[Category: Mbl]]
		+	[[Category: Metallo-beta-lactamase]]

OCA at 09:30, 4 September 2013

OCA — Wed, 04 Sep 2013 09:30:23 GMT

←Older revision		Revision as of 09:30, 4 September 2013
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4c1h is ON HOLD	+	The entry 4c1h is ON HOLD until Paper Publication

	Authors: Zollman, D., Brem, J., McDonough, M.A., vanBerkel, S.S., Schofield, C.J.		Authors: Zollman, D., Brem, J., McDonough, M.A., vanBerkel, S.S., Schofield, C.J.

	Description: Crystal structure of a beta lactamase in complex with an inhibitor		Description: Crystal structure of a beta lactamase in complex with an inhibitor