5jmx - Revision history

OCA at 18:59, 20 September 2023

OCA — Wed, 20 Sep 2023 18:59:06 GMT

←Older revision		Revision as of 18:59, 20 September 2023
Line 1:		Line 1:

	==Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305==		==Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305==
-	<StructureSection load='5jmx' size='340' side='right' caption='[[5jmx]], [[Resolution\|resolution]] 1.44Å' scene=''>	+	<StructureSection load='5jmx' size='340' side='right'caption='[[5jmx]], [[Resolution\|resolution]] 1.44Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5jmx]] 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=5JMX OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5JMX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5jmx]] 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=5JMX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5JMX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DZ5:(2Z)-3-(4-FLUOROPHENYL)-2-SULFANYLPROP-2-ENOIC+ACID'>DZ5</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.44Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blm ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1396 ATCC 14579])</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DZ5:(2Z)-3-(4-FLUOROPHENYL)-2-SULFANYLPROP-2-ENOIC+ACID'>DZ5</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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'>[https://proteopedia.org/fgij/fg.htm?mol=5jmx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jmx OCA], [https://pdbe.org/5jmx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5jmx RCSB], [https://www.ebi.ac.uk/pdbsum/5jmx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5jmx 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=5jmx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jmx OCA], [~~http~~://pdbe.org/5jmx PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5jmx RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5jmx PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5jmx 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;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 21:

	==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: ~~Atcc 14579~~]]	+	[[Category: Bacillus cereus]]
-	[[Category: ~~Beta-lactamase~~]]	+	[[Category: Large Structures]]
-	[[Category: Brem, J]]	+	[[Category: Brem J]]
-	[[Category: McDonough~~, M A~~]]	+	[[Category: McDonough MA]]
-	[[Category: Schofield~~, C J~~]]	+	[[Category: Schofield CJ]]
-	[[Category: Stepanovs, D]]	+	[[Category: Stepanovs D]]
-	[[Category: Zhang, D]]	+	[[Category: Zhang D]]
-	~~[[Category: Antimicrobial resistance]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Metallo beta lactamase~~]]	+

OCA at 08:23, 3 October 2018

OCA — Wed, 03 Oct 2018 08:23:25 GMT

←Older revision		Revision as of 08:23, 3 October 2018
Line 3:		Line 3:
	<StructureSection load='5jmx' size='340' side='right' caption='[[5jmx]], [[Resolution\|resolution]] 1.44Å' scene=''>		<StructureSection load='5jmx' size='340' side='right' caption='[[5jmx]], [[Resolution\|resolution]] 1.44Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5jmx]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JMX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5JMX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5jmx]] 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=5JMX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5JMX FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DZ5:(2Z)-3-(4-FLUOROPHENYL)-2-SULFANYLPROP-2-ENOIC+ACID'>DZ5</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=DZ5:(2Z)-3-(4-FLUOROPHENYL)-2-SULFANYLPROP-2-ENOIC+ACID'>DZ5</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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">blm ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1396 ATCC 14579])</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=5jmx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jmx OCA], [http://pdbe.org/5jmx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jmx RCSB], [http://www.ebi.ac.uk/pdbsum/5jmx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5jmx 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=5jmx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jmx OCA], [http://pdbe.org/5jmx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jmx RCSB], [http://www.ebi.ac.uk/pdbsum/5jmx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5jmx ProSAT]</span></td></tr>
Line 10:		Line 11:
	== 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 ==
		+	Metallo-beta-lactamases (MBLs) enable bacterial resistance to almost all classes of beta-lactam antibiotics. We report studies on enethiol containing MBL inhibitors, which were prepared by rhodanine hydrolysis. The enethiols inhibit MBLs from different subclasses. Crystallographic analyses reveal that the enethiol sulphur displaces the di-Zn(II) ion bridging 'hydrolytic' water. In some, but not all, cases biophysical analyses provide evidence that rhodanine/enethiol inhibition involves formation of a ternary MBL enethiol rhodanine complex. The results demonstrate how low molecular weight active site Zn(II) chelating compounds can inhibit a range of clinically relevant MBLs and provide additional evidence for the potential of rhodanines to be hydrolysed to potent inhibitors of MBL protein fold and, maybe, other metallo-enzymes, perhaps contributing to the complex biological effects of rhodanines. The results imply that any medicinal chemistry studies employing rhodanines (and related scaffolds) as inhibitors should as a matter of course include testing of their hydrolysis products.
		+
		+	Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.,Zhang D, Markoulides MS, Stepanovs D, Rydzik AM, El-Hussein A, Bon C, Kamps JJAG, Umland KD, Collins PM, Cahill ST, Wang DY, von Delft F, Brem J, McDonough MA, Schofield CJ Bioorg Med Chem. 2018 Jul 15;26(11):2928-2936. doi: 10.1016/j.bmc.2018.02.043., Epub 2018 Feb 23. PMID:29655609<ref>PMID:29655609</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5jmx" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase\|Beta-lactamase]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Atcc 14579]]
	[[Category: Beta-lactamase]]		[[Category: Beta-lactamase]]
	[[Category: Brem, J]]		[[Category: Brem, J]]

OCA at 13:43, 24 May 2017

OCA — Wed, 24 May 2017 13:43:16 GMT

←Older revision		Revision as of 13:43, 24 May 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5jmx is ~~ON HOLD until Paper Publication~~	+	==Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305==
-		+	<StructureSection load='5jmx' size='340' side='right' caption='[[5jmx]], [[Resolution\|resolution]] 1.44Å' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5jmx]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JMX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5JMX FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DZ5:(2Z)-3-(4-FLUOROPHENYL)-2-SULFANYLPROP-2-ENOIC+ACID'>DZ5</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<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=5jmx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jmx OCA], [http://pdbe.org/5jmx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jmx RCSB], [http://www.ebi.ac.uk/pdbsum/5jmx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5jmx ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/BLA2_BACCE BLA2_BACCE]] Can hydrolyze carbapenem compounds.
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Beta-lactamase]]
		+	[[Category: Brem, J]]
		+	[[Category: McDonough, M A]]
		+	[[Category: Schofield, C J]]
		+	[[Category: Stepanovs, D]]
		+	[[Category: Zhang, D]]
		+	[[Category: Antimicrobial resistance]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Metallo beta lactamase]]

OCA: Protected "5jmx" [edit=sysop:move=sysop]

OCA — Sun, 15 May 2016 15:36:17 GMT

Protected "5jmx" [edit=sysop:move=sysop]

←Older revision

Revision as of 15:36, 15 May 2016

OCA: New page: '''Unreleased structure''' The entry 5jmx is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

OCA — Sun, 15 May 2016 15:36:16 GMT

New page: '''Unreleased structure''' The entry 5jmx is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5jmx is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]