5cg2 - Revision history

OCA at 08:37, 27 September 2023

2023-09-27T08:37:36Z

←Older revision		Revision as of 08:37, 27 September 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5cg2]] 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=5CG2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CG2 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5cg2]] 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=5CG2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CG2 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CJ3:1-HYDROXY-2,3,1-BENZODIAZABORININE-2(1H)-CARBOTHIOAMIDE'>CJ3</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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]] 2.11Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CJ3:1-HYDROXY-2,3,1-BENZODIAZABORININE-2(1H)-CARBOTHIOAMIDE'>CJ3</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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=5cg2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cg2 OCA], [https://pdbe.org/5cg2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5cg2 RCSB], [https://www.ebi.ac.uk/pdbsum/5cg2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5cg2 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=5cg2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cg2 OCA], [https://pdbe.org/5cg2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5cg2 RCSB], [https://www.ebi.ac.uk/pdbsum/5cg2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5cg2 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 12:03, 14 June 2023

2023-06-14T12:03:47Z

←Older revision		Revision as of 12:03, 14 June 2023
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	<StructureSection load='5cg2' size='340' side='right'caption='[[5cg2]], [[Resolution\|resolution]] 2.11Å' scene=''>		<StructureSection load='5cg2' size='340' side='right'caption='[[5cg2]], [[Resolution\|resolution]] 2.11Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5cg2]] 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=5CG2 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5CG2 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5cg2]] 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=5CG2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CG2 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CJ3:1-HYDROXY-2,3,1-BENZODIAZABORININE-2(1H)-CARBOTHIOAMIDE'>CJ3</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CJ3:1-HYDROXY-2,3,1-BENZODIAZABORININE-2(1H)-CARBOTHIOAMIDE'>CJ3</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5cfz\|5cfz]], [[5cg1\|5cg1]]</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=5cg2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cg2 OCA], [https://pdbe.org/5cg2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5cg2 RCSB], [https://www.ebi.ac.uk/pdbsum/5cg2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5cg2 ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">fabI, envM, b1288, JW1281 ([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/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </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=5cg2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cg2 OCA], [~~http~~://pdbe.org/5cg2 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5cg2 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5cg2 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5cg2 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/FABI_ECOLI FABI_ECOLI]] Catalyzes the reduction of a carbon-carbon double bond in an enoyl moiety that is covalently linked to an acyl carrier protein (ACP). Involved in the elongation cycle of fatty acid which are used in the lipid metabolism and in the biotin biosynthesis.<ref>PMID:8119879</ref> <ref>PMID:7592873</ref> <ref>PMID:20693992</ref>	+	[https://www.uniprot.org/uniprot/FABI_ECOLI FABI_ECOLI] Catalyzes the reduction of a carbon-carbon double bond in an enoyl moiety that is covalently linked to an acyl carrier protein (ACP). Involved in the elongation cycle of fatty acid which are used in the lipid metabolism and in the biotin biosynthesis.<ref>PMID:8119879</ref> <ref>PMID:7592873</ref> <ref>PMID:20693992</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 28:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Ecoli~~]]	+	[[Category: Escherichia coli K-12]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Jordan~~, C A~~]]	+	[[Category: Jordan CA]]
-	[[Category: Vey~~, J L]]~~	+	[[Category: Vey JL]]
-	~~[[Category: Antibiotic]]~~	+
-	~~[[Category: Enoyl-acp reductase]]~~	+
-	~~[[Category: Nad]]~~	+
-	~~[[Category: Oxidoreducatase-oxidoreducatase inhibitor complex]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex~~]]	+

OCA at 11:36, 27 March 2020

2020-03-27T11:36:55Z

←Older revision		Revision as of 11:36, 27 March 2020
Line 1:		Line 1:
		+
	==Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b.==		==Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b.==
-	<StructureSection load='5cg2' size='340' side='right' caption='[[5cg2]], [[Resolution\|resolution]] 2.11Å' scene=''>	+	<StructureSection load='5cg2' size='340' side='right'caption='[[5cg2]], [[Resolution\|resolution]] 2.11Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5cg2]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CG2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CG2 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5cg2]] 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=5CG2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CG2 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CJ3:1-HYDROXY-2,3,1-BENZODIAZABORININE-2(1H)-CARBOTHIOAMIDE'>CJ3</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CJ3:1-HYDROXY-2,3,1-BENZODIAZABORININE-2(1H)-CARBOTHIOAMIDE'>CJ3</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5cfz\|5cfz]], [[5cg1\|5cg1]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5cfz\|5cfz]], [[5cg1\|5cg1]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">fabI, envM, b1288, JW1281 ([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/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </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=5cg2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cg2 OCA], [http://pdbe.org/5cg2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5cg2 RCSB], [http://www.ebi.ac.uk/pdbsum/5cg2 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=5cg2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cg2 OCA], [http://pdbe.org/5cg2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5cg2 RCSB], [http://www.ebi.ac.uk/pdbsum/5cg2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5cg2 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 5cg2" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5cg2" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures\|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Ecoli]]
		+	[[Category: Large Structures]]
	[[Category: Jordan, C A]]		[[Category: Jordan, C A]]
	[[Category: Vey, J L]]		[[Category: Vey, J L]]

OCA at 13:38, 9 December 2015

2015-12-09T13:38:00Z

←Older revision		Revision as of 13:38, 9 December 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b.==
		+	<StructureSection load='5cg2' size='340' side='right' caption='[[5cg2]], [[Resolution\|resolution]] 2.11Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5cg2]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CG2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5CG2 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CJ3:1-HYDROXY-2,3,1-BENZODIAZABORININE-2(1H)-CARBOTHIOAMIDE'>CJ3</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5cfz\|5cfz]], [[5cg1\|5cg1]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </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=5cg2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5cg2 OCA], [http://pdbe.org/5cg2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5cg2 RCSB], [http://www.ebi.ac.uk/pdbsum/5cg2 PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/FABI_ECOLI FABI_ECOLI]] Catalyzes the reduction of a carbon-carbon double bond in an enoyl moiety that is covalently linked to an acyl carrier protein (ACP). Involved in the elongation cycle of fatty acid which are used in the lipid metabolism and in the biotin biosynthesis.<ref>PMID:8119879</ref> <ref>PMID:7592873</ref> <ref>PMID:20693992</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Enoyl-ACP reductase, the last enzyme of the fatty-acid biosynthetic pathway, is the molecular target for several successful antibiotics such as the tuberculosis therapeutic isoniazid. It is currently under investigation as a narrow-spectrum antibiotic target for the treatment of several types of bacterial infections. The diazaborine family is a group of boron heterocycle-based synthetic antibacterial inhibitors known to target enoyl-ACP reductase. Development of this class of molecules has thus far focused solely on the sulfonyl-containing versions. Here, the requirement for the sulfonyl group in the diazaborine scaffold was investigated by examining several recently characterized enoyl-ACP reductase inhibitors that lack the sulfonyl group and exhibit additional variability in substitutions, size and flexibility. Biochemical studies are reported showing the inhibition of Escherichia coli enoyl-ACP reductase by four diazaborines, and the crystal structures of two of the inhibitors bound to E. coli enoyl-ACP reductase solved to 2.07 and 2.11 A resolution are reported. The results show that the sulfonyl group can be replaced with an amide or thioamide without disruption of the mode of inhibition of the molecule.

-	~~The entry 5cg2 is ON HOLD~~	+	Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors.,Jordan CA, Sandoval BA, Serobyan MV, Gilling DH, Groziak MP, Xu HH, Vey JL Acta Crystallogr F Struct Biol Commun. 2015 Dec 1;71(Pt 12):1521-30. doi:, 10.1107/S2053230X15022098. Epub 2015 Nov 27. PMID:26625295<ref>PMID:26625295</ref>

-	~~Authors~~: Jordan, C.A., Vey, J.L.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~:	+	<div class="pdbe-citations 5cg2" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
-	[[Category: ~~Jordan, C.A~~]]	+	<references/>
-	[[Category: ~~Vey, J.L~~]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Jordan, C A]]
		+	[[Category: Vey, J L]]
		+	[[Category: Antibiotic]]
		+	[[Category: Enoyl-acp reductase]]
		+	[[Category: Nad]]
		+	[[Category: Oxidoreducatase-oxidoreducatase inhibitor complex]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

OCA at 02:58, 22 October 2015

2015-10-22T02:58:29Z

←Older revision		Revision as of 02:58, 22 October 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5cg2 is ON HOLD ~~until Paper Publication~~	+	The entry 5cg2 is ON HOLD

	Authors: Jordan, C.A., Vey, J.L.		Authors: Jordan, C.A., Vey, J.L.

OCA at 01:28, 16 October 2015

2015-10-16T01:28:50Z

←Older revision		Revision as of 01:28, 16 October 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5cg2 is ON HOLD	+	The entry 5cg2 is ON HOLD until Paper Publication

	Authors: Jordan, C.A., Vey, J.L.		Authors: Jordan, C.A., Vey, J.L.

OCA: Protected "5cg2" [edit=sysop:move=sysop]

2015-07-15T12:31:58Z

Protected "5cg2" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:31, 15 July 2015

OCA: New page: '''Unreleased structure''' The entry 5cg2 is ON HOLD Authors: Jordan, C.A., Vey, J.L. Description: Category: Unreleased Structures Category: Jordan, C.A Category: Vey, J.L

2015-07-15T12:31:56Z

New page: '''Unreleased structure''' The entry 5cg2 is ON HOLD Authors: Jordan, C.A., Vey, J.L. Description: Category: Unreleased Structures Category: Jordan, C.A Category: Vey, J.L

New page

'''Unreleased structure'''

The entry 5cg2 is ON HOLD

Authors: Jordan, C.A., Vey, J.L.

Description:
[[Category: Unreleased Structures]]
[[Category: Jordan, C.A]]
[[Category: Vey, J.L]]