7s04 - Revision history

OCA at 16:41, 18 October 2023

OCA — Wed, 18 Oct 2023 16:41:03 GMT

←Older revision		Revision as of 16:41, 18 October 2023
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	<StructureSection load='7s04' size='340' side='right'caption='[[7s04]], [[Resolution\|resolution]] 2.52Å' scene=''>		<StructureSection load='7s04' size='340' side='right'caption='[[7s04]], [[Resolution\|resolution]] 2.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7s04]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7S04 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7S04 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7s04]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Acinetobacter_baumannii Acinetobacter baumannii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7S04 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7S04 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=F98:3-[ETHANOYL(HYDROXY)AMINO]PROPYLPHOSPHONIC+ACID'>F98</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</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]] 2.52Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=F98:3-[ETHANOYL(HYDROXY)AMINO]PROPYLPHOSPHONIC+ACID'>F98</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</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=7s04 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7s04 OCA], [https://pdbe.org/7s04 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7s04 RCSB], [https://www.ebi.ac.uk/pdbsum/7s04 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7s04 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=7s04 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7s04 OCA], [https://pdbe.org/7s04 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7s04 RCSB], [https://www.ebi.ac.uk/pdbsum/7s04 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7s04 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/~~A0A0D5YGN4_ACIBA A0A0D5YGN4_ACIBA]~~] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).~~[HAMAP-Rule:MF_00183]~~	+	[https://www.uniprot.org/uniprot/DXR_ACIB3 DXR_ACIB3] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 7s04" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7s04" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[DXP reductoisomerase 3D Structures\|DXP reductoisomerase 3D Structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~1-deoxy-D-xylulose-5-phosphate reductoisomerase~~]]	+	[[Category: Acinetobacter baumannii]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ball~~, H S~~]]	+	[[Category: Ball HS]]
-	[[Category: Couch~~, R D~~]]	+	[[Category: Couch RD]]
-	[[Category: Noble~~, S M]]~~	+	[[Category: Noble SM]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Isoprenoid biosynthesis]]~~	+
-	~~[[Category: Oxidoreductase-inhibitor complex~~]]	+

OCA at 12:52, 24 November 2021

OCA — Wed, 24 Nov 2021 12:52:22 GMT

←Older revision		Revision as of 12:52, 24 November 2021
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	==1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion==		==1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion==
-	<StructureSection load='7s04' size='340' side='right'caption='[[7s04]]' scene=''>	+	<StructureSection load='7s04' size='340' side='right'caption='[[7s04]], [[Resolution\|resolution]] 2.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7S04 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7S04 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7s04]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7S04 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7S04 FirstGlance]. <br>
-	</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=7s04 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7s04 OCA], [https://pdbe.org/7s04 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7s04 RCSB], [https://www.ebi.ac.uk/pdbsum/7s04 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7s04 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=F98:3-[ETHANOYL(HYDROXY)AMINO]PROPYLPHOSPHONIC+ACID'>F98</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </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=7s04 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7s04 OCA], [https://pdbe.org/7s04 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7s04 RCSB], [https://www.ebi.ac.uk/pdbsum/7s04 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7s04 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/A0A0D5YGN4_ACIBA A0A0D5YGN4_ACIBA]] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).[HAMAP-Rule:MF_00183]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The ESKAPE pathogens comprise a group of multidrug-resistant bacteria that are the leading cause of nosocomial infections worldwide. The prevalence of antibiotic resistant strains and the relative ease by which bacteria acquire resistance genes highlight the continual need for the development of novel antibiotics against new drug targets. The methylerythritol phosphate (MEP) pathway is an attractive target for the development of new antibiotics. The MEP pathway governs the synthesis of isoprenoids, which are key lipid precursors for vital cell components such as ubiquinone and bacterial hopanoids. Additionally, the MEP pathway is entirely distinct from the corresponding mammalian pathway, the mevalonic acid (MVA) pathway, making the first committed enzyme of the MEP pathway, 1-deoxy-d-xylulose 5-phosphate reductoisomerase (IspC), an attractive target for antibiotic development. To facilitate drug development against two of the ESKAPE pathogens, Acinetobacter baumannii and Klebsiella pneumoniae, we cloned, expressed, purified, and characterized IspC from these two Gram-negative bacteria. Enzyme inhibition assays using IspC from these two pathogens, and compounds fosmidomycin and FR900098, indicate IC50 values ranging from 19.5-45.5 nM. Antimicrobial susceptibility tests with these inhibitors reveal that A. baumannii is susceptible to FR900098, whereas K. pneumoniae is susceptible to both compounds. Finally, to facilitate structure-based drug design of inhibitors targeting A. baumannii IspC, we determined the 2.5 A crystal structure of IspC from A. baumannii in complex with inhibitor FR900098, and cofactors NADPH and magnesium.
		+
		+	Characterization and Inhibition of 1-Deoxy-d-Xylulose 5-Phosphate Reductoisomerase: A Promising Drug Target in Acinetobacter baumannii and Klebsiella pneumoniae.,Ball HS, Girma MB, Zainab M, Soojhawon I, Couch RD, Noble SM ACS Infect Dis. 2021 Oct 21. doi: 10.1021/acsinfecdis.1c00132. PMID:34672535<ref>PMID:34672535</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7s04" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Ball HS]]	+	[[Category: Ball, H S]]
-	[[Category: Couch RD]]	+	[[Category: Couch, R D]]
-	[[Category: Noble SM]]	+	[[Category: Noble, S M]]
		+	[[Category: Complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Isoprenoid biosynthesis]]
		+	[[Category: Oxidoreductase-inhibitor complex]]

OCA at 14:32, 3 November 2021

OCA — Wed, 03 Nov 2021 14:32:51 GMT

←Older revision		Revision as of 14:32, 3 November 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 7s04 is ~~ON HOLD until Paper Publication~~	+	==1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion==
-		+	<StructureSection load='7s04' size='340' side='right'caption='[[7s04]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7S04 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7S04 FirstGlance]. <br>
-	~~Description~~:	+	</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=7s04 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7s04 OCA], [https://pdbe.org/7s04 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7s04 RCSB], [https://www.ebi.ac.uk/pdbsum/7s04 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7s04 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Ball HS]]
		+	[[Category: Couch RD]]
		+	[[Category: Noble SM]]

OCA at 07:44, 29 September 2021

OCA — Wed, 29 Sep 2021 07:44:43 GMT

←Older revision		Revision as of 07:44, 29 September 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7s04 is ON HOLD	+	The entry 7s04 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7s04" [edit=sysop:move=sysop]

OCA — Wed, 08 Sep 2021 07:51:12 GMT

Protected "7s04" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:51, 8 September 2021

OCA: New page: '''Unreleased structure''' The entry 7s04 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 08 Sep 2021 07:51:11 GMT

New page: '''Unreleased structure''' The entry 7s04 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7s04 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]