3qa2 - Revision history

OCA at 11:38, 14 March 2024

2024-03-14T11:38:23Z

← Older revision		Revision as of 11:38, 14 March 2024
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	<StructureSection load='3qa2' size='340' side='right'caption='[[3qa2]], [[Resolution\|resolution]] 2.52Å' scene=''>		<StructureSection load='3qa2' size='340' side='right'caption='[[3qa2]], [[Resolution\|resolution]] 2.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3qa2]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QA2 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3qa2]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QA2 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XNA:N~8~-(CYCLOPROPYLMETHYL)-N~4~-(2-METHYLPHENYL)-2-(PIPERAZIN-1-YL)PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE'>XNA</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]] 2.519Å</td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3q92\|3q92]], [[3nbv\|3nbv]], [[3nbw\|3nbw]], [[3nc2\|3nc2]], [[3nc9\|3nc9]], [[3nca\|3nca]], [[3qai\|3qai]]</div></td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XNA:N~8~-(CYCLOPROPYLMETHYL)-N~4~-(2-METHYLPHENYL)-2-(PIPERAZIN-1-YL)PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE'>XNA</scene></td></tr>
	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KHK ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>~~
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Ketohexokinase Ketohexokinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.3 2.7.1.3] </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=3qa2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qa2 OCA], [https://pdbe.org/3qa2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qa2 RCSB], [https://www.ebi.ac.uk/pdbsum/3qa2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qa2 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=3qa2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qa2 OCA], [https://pdbe.org/3qa2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qa2 RCSB], [https://www.ebi.ac.uk/pdbsum/3qa2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qa2 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
	[[https://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN]] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:[https://omim.org/entry/229800 229800]]. Benign defect of intermediary metabolism.<ref>PMID:19237742</ref> <ref>PMID:7833921</ref>		[https://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:[https://omim.org/entry/229800 229800]. Benign defect of intermediary metabolism.<ref>PMID:19237742</ref> <ref>PMID:7833921</ref>
	~~<div style="background-color:#fffaf0;"~~>		== Function ==
	== ~~Publication Abstract from PubMed~~ ==		[https://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN]
	Attenuation of fructose metabolism by the inhibition of ketohexokinase (KHK; fructokinase) should reduce body weight, free fatty acids, and triglycerides, thereby offering a novel approach to treat diabetes and obesity in response to modern diets. We have identified potent, selective inhibitors of human hepatic KHK within a series of pyrimidinopyrimidines (1). For example, 8, 38, and 47 exhibited KHK IC50 values of 12, 7, and 8 nM, respectively, and also showed potent cellular KHK inhibition (IC50 < 500 nM), which relates to their intrinsic potency vs KHK and their ability to penetrate cells. X-ray cocrystal structures of KHK complexes of 3, 8, and 47 revealed the important interactions within the enzyme's adenosine 5'-triphosphate (ATP)-binding pocket.

	Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.,Maryanoff BE, O'Neill JC, McComsey DF, Yabut SC, Luci DK, Jordan AD Jr, Masucci JA, Jones WJ, Abad MC, Gibbs AC, Petrounia I ACS Med Chem Lett. 2011 Apr 18;2(7):538-43. doi: ~~10.1021~~/~~ml200070g. eCollection, 2011 Jul 14. PMID:24900346<ref>PMID:24900346<~~/~~ref>~~

	~~From MEDLINE®/PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~
	</~~div>~~
	~~<div class="pdbe-citations 3qa2" style="background-color:#fffaf0;"><~~/~~div>~~

	==See Also==		==See Also==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Human]]~~		[[Category: Homo sapiens]]
	~~[[Category: Ketohexokinase~~]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Abad~~, M C]]~~		[[Category: Abad MC]]
	~~[[Category: Atp binding]]~~
	~~[[Category: Transferase-transferase inhibitor complex~~]]

OCA at 05:59, 8 June 2022

2022-06-08T05:59:22Z

← Older revision		Revision as of 05:59, 8 June 2022
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	==X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2==		==X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2==
	<StructureSection load='3qa2' size='340' side='right' caption='[[3qa2]], [[Resolution\|resolution]] 2.52Å' scene=''>		<StructureSection load='3qa2' size='340' side='right'caption='[[3qa2]], [[Resolution\|resolution]] 2.52Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3qa2]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3QA2 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3qa2]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QA2 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XNA:N~8~-(CYCLOPROPYLMETHYL)-N~4~-(2-METHYLPHENYL)-2-(PIPERAZIN-1-YL)PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE'>XNA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XNA:N~8~-(CYCLOPROPYLMETHYL)-N~4~-(2-METHYLPHENYL)-2-(PIPERAZIN-1-YL)PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE'>XNA</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3q92\|3q92]], [[3nbv\|3nbv]], [[3nbw\|3nbw]], [[3nc2\|3nc2]], [[3nc9\|3nc9]], [[3nca\|3nca]], [[3qai\|3qai]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3q92\|3q92]], [[3nbv\|3nbv]], [[3nbw\|3nbw]], [[3nc2\|3nc2]], [[3nc9\|3nc9]], [[3nca\|3nca]], [[3qai\|3qai]]</div></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KHK ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KHK ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Ketohexokinase Ketohexokinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.3 2.7.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Ketohexokinase Ketohexokinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.3 2.7.1.3] </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=3qa2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qa2 OCA], [~~http~~://pdbe.org/3qa2 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3qa2 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3qa2 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3qa2 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=3qa2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qa2 OCA], [https://pdbe.org/3qa2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qa2 RCSB], [https://www.ebi.ac.uk/pdbsum/3qa2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qa2 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
	[[~~http~~://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN]] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:[~~http~~://omim.org/entry/229800 229800]]. Benign defect of intermediary metabolism.<ref>PMID:19237742</ref> <ref>PMID:7833921</ref>		[[https://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN]] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:[https://omim.org/entry/229800 229800]]. Benign defect of intermediary metabolism.<ref>PMID:19237742</ref> <ref>PMID:7833921</ref>
	<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 3qa2" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3qa2" style="background-color:#fffaf0;"></div>

			==See Also==
			*[[Ketohexokinase\|Ketohexokinase]]
	== References ==		== References ==
	<references/>		<references/>
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	[[Category: Human]]		[[Category: Human]]
	[[Category: Ketohexokinase]]		[[Category: Ketohexokinase]]
			[[Category: Large Structures]]
	[[Category: Abad, M C]]		[[Category: Abad, M C]]
	[[Category: Atp binding]]		[[Category: Atp binding]]
	[[Category: Transferase-transferase inhibitor complex]]		[[Category: Transferase-transferase inhibitor complex]]

OCA at 09:12, 8 November 2017

2017-11-08T09:12:45Z

← Older revision		Revision as of 09:12, 8 November 2017
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	</div>		</div>
	<div class="pdbe-citations 3qa2" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3qa2" style="background-color:#fffaf0;"></div>

	~~==See Also==~~
	*[[Ketohexokinase\|Ketohexokinase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:29, 5 August 2016

2016-08-05T11:29:35Z

← Older revision		Revision as of 11:29, 5 August 2016
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	==X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2==		==X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2==
	<StructureSection load='3qa2' size='340' side='right' caption='[[3qa2]], [[Resolution\|resolution]] 2.52Å' scene=''>		<StructureSection load='3qa2' size='340' side='right' caption='[[3qa2]], [[Resolution\|resolution]] 2.52Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KHK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KHK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Ketohexokinase Ketohexokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.3 2.7.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Ketohexokinase Ketohexokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.3 2.7.1.3] </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=3qa2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qa2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qa2 RCSB], [http://www.ebi.ac.uk/pdbsum/3qa2 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=3qa2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qa2 OCA], [http://pdbe.org/3qa2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qa2 RCSB], [http://www.ebi.ac.uk/pdbsum/3qa2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qa2 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
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	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 3qa2" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 18:27, 25 December 2014

2014-12-25T18:27:18Z

← Older revision		Revision as of 18:27, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3qa2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QA2 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3qa2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QA2 FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XNA:N~8~-(CYCLOPROPYLMETHYL)-N~4~-(2-METHYLPHENYL)-2-(PIPERAZIN-1-YL)PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE'>XNA</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XNA:N~8~-(CYCLOPROPYLMETHYL)-N~4~-(2-METHYLPHENYL)-2-(PIPERAZIN-1-YL)PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE'>XNA</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3q92\|3q92]], [[3nbv\|3nbv]], [[3nbw\|3nbw]], [[3nc2\|3nc2]], [[3nc9\|3nc9]], [[3nca\|3nca]], [[3qai\|3qai]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3q92\|3q92]], [[3nbv\|3nbv]], [[3nbw\|3nbw]], [[3nc2\|3nc2]], [[3nc9\|3nc9]], [[3nca\|3nca]], [[3qai\|3qai]]</td></tr>
	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KHK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KHK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Ketohexokinase Ketohexokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.3 2.7.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Ketohexokinase Ketohexokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.3 2.7.1.3] </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=3qa2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qa2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qa2 RCSB], [http://www.ebi.ac.uk/pdbsum/3qa2 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=3qa2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qa2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qa2 RCSB], [http://www.ebi.ac.uk/pdbsum/3qa2 PDBsum]</span></td></tr>
	<table>		</table>
	== Disease ==		== Disease ==
	[[http://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN]] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:[http://omim.org/entry/229800 229800]]. Benign defect of intermediary metabolism.<ref>PMID:19237742</ref> <ref>PMID:7833921</ref>		[[http://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN]] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:[http://omim.org/entry/229800 229800]]. Benign defect of intermediary metabolism.<ref>PMID:19237742</ref> <ref>PMID:7833921</ref>
	~~== Function ==~~

	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	[[Category: Human]]		[[Category: Human]]
	[[Category: Ketohexokinase]]		[[Category: Ketohexokinase]]
	[[Category: Abad, M C.]]		[[Category: Abad, M C]]
	[[Category: Atp binding]]		[[Category: Atp binding]]
	~~[[Category: Ketohexokinase]]~~
	[[Category: Transferase-transferase inhibitor complex]]		[[Category: Transferase-transferase inhibitor complex]]

OCA at 06:58, 24 September 2014

2014-09-24T06:58:04Z

← Older revision		Revision as of 06:58, 24 September 2014
Line 1:		Line 1:
	~~{{STRUCTURE_3qa2\| PDB=3qa2 \| SCENE= }}~~		==X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2==
	===X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2===		<StructureSection load='3qa2' size='340' side='right' caption='[[3qa2]], [[Resolution\|resolution]] 2.52Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[3qa2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QA2 FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=XNA:N~8~-(CYCLOPROPYLMETHYL)-N~4~-(2-METHYLPHENYL)-2-(PIPERAZIN-1-YL)PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE'>XNA</scene><br>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3q92\|3q92]], [[3nbv\|3nbv]], [[3nbw\|3nbw]], [[3nc2\|3nc2]], [[3nc9\|3nc9]], [[3nca\|3nca]], [[3qai\|3qai]]</td></tr>
			<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">KHK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
			<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Ketohexokinase Ketohexokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.3 2.7.1.3] </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=3qa2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qa2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qa2 RCSB], [http://www.ebi.ac.uk/pdbsum/3qa2 PDBsum]</span></td></tr>
			<table>
			== Disease ==
			[[http://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN]] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:[http://omim.org/entry/229800 229800]]. Benign defect of intermediary metabolism.<ref>PMID:19237742</ref> <ref>PMID:7833921</ref>
			== Function ==

	==~~Disease~~==		<div style="background-color:#fffaf0;">
	~~[[http://www~~.~~uniprot~~.~~org/uniprot/KHK_HUMAN KHK_HUMAN]] Defects in~~ KHK ~~are the cause~~ of ~~fructosuria~~ (~~FRUCT~~) ~~[MIM:[http://omim~~.~~org/entry/229800 229800]]. Benign defect~~ of ~~intermediary metabolism~~.~~<ref>PMID:19237742</ref><ref>PMID:7833921</ref>~~		== Publication Abstract from PubMed ==
			Attenuation of fructose metabolism by the inhibition of ketohexokinase (KHK; fructokinase) should reduce body weight, free fatty acids, and triglycerides, thereby offering a novel approach to treat diabetes and obesity in response to modern diets. We have identified potent, selective inhibitors of human hepatic KHK within a series of pyrimidinopyrimidines (1). For example, 8, 38, and 47 exhibited KHK IC50 values of 12, 7, and 8 nM, respectively, and also showed potent cellular KHK inhibition (IC50 < 500 nM), which relates to their intrinsic potency vs KHK and their ability to penetrate cells. X-ray cocrystal structures of KHK complexes of 3, 8, and 47 revealed the important interactions within the enzyme's adenosine 5'-triphosphate (ATP)-binding pocket.

	~~==About this Structure==~~		Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.,Maryanoff BE, O'Neill JC, McComsey DF, Yabut SC, Luci DK, Jordan AD Jr, Masucci JA, Jones WJ, Abad MC, Gibbs AC, Petrounia I ACS Med Chem Lett. 2011 Apr 18;2(7):538-43. doi: 10.1021/ml200070g. eCollection, 2011 Jul 14. PMID:24900346<ref>PMID:24900346</ref>
	~~[[3qa2]] is a~~ 2 ~~chain structure with sequence from [http~~:~~//en~~.~~wikipedia~~.~~org~~/~~wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http~~://~~oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=3QA2 OCA].~~
			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>

	==See Also==		==See Also==
	*[[Ketohexokinase\|Ketohexokinase]]		*[[Ketohexokinase\|Ketohexokinase]]
			== References ==
	==~~Reference~~==		<references/>
	<references ~~group="xtra"~~/><~~references~~/>		__TOC__
	[[Category: ~~Homo sapiens~~]]		</StructureSection>
			[[Category: Human]]
	[[Category: Ketohexokinase]]		[[Category: Ketohexokinase]]
	[[Category: Abad, M C.]]		[[Category: Abad, M C.]]

OCA at 21:20, 24 March 2013

2013-03-24T21:20:36Z

← Older revision		Revision as of 21:20, 24 March 2013
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	~~[[Image:3qa2.png\|left\|200px]]~~

	{{STRUCTURE_3qa2\| PDB=3qa2 \| SCENE= }}		{{STRUCTURE_3qa2\| PDB=3qa2 \| SCENE= }}

	===X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2===		===X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2===

			==Disease==
			[[http://www.uniprot.org/uniprot/KHK_HUMAN KHK_HUMAN]] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:[http://omim.org/entry/229800 229800]]. Benign defect of intermediary metabolism.<ref>PMID:19237742</ref><ref>PMID:7833921</ref>

	==About this Structure==		==About this Structure==
Line 11:		Line 10:
	==See Also==		==See Also==
	*[[Ketohexokinase\|Ketohexokinase]]		*[[Ketohexokinase\|Ketohexokinase]]

			==Reference==
			<references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Ketohexokinase]]		[[Category: Ketohexokinase]]

OCA at 19:58, 20 October 2012

2012-10-20T19:58:53Z

← Older revision		Revision as of 19:58, 20 October 2012
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	==About this Structure==		==About this Structure==
	[[3qa2]] is a 2 chain structure ~~of [[Ketohexokinase]]~~ with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA].		[[3qa2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA].

	==See Also==		==See Also==

OCA at 09:03, 27 July 2012

2012-07-27T09:03:57Z

← Older revision		Revision as of 09:03, 27 July 2012
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	[[Image:3qa2.~~jpg~~\|left\|200px]]		[[Image:3qa2.png\|left\|200px]]

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_3qa2", creates the "Structure Box" on the page.~~
	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~
	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~
	~~or leave the SCENE parameter empty for the default display.~~
	~~-->~~
	{{STRUCTURE_3qa2\| PDB=3qa2 \| SCENE= }}		{{STRUCTURE_3qa2\| PDB=3qa2 \| SCENE= }}

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	==About this Structure==		==About this Structure==
	[[3qa2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA].		[[3qa2]] is a 2 chain structure of [[Ketohexokinase]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA].

			==See Also==
			*[[Ketohexokinase\|Ketohexokinase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Ketohexokinase]]		[[Category: Ketohexokinase]]

OCA at 10:50, 18 January 2012

2012-01-18T10:50:51Z

← Older revision		Revision as of 10:50, 18 January 2012
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	~~'''Unreleased structure'''~~		[[Image:3qa2.jpg\|left\|200px]]

	The ~~entry~~ 3qa2 ~~is ON HOLD~~ ~~until Paper Publication~~		<!--
			The line below this paragraph, containing "STRUCTURE_3qa2", creates the "Structure Box" on the page.
			You may change the PDB parameter (which sets the PDB file loaded into the applet)
			or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
			or leave the SCENE parameter empty for the default display.
			-->
			{{STRUCTURE_3qa2\| PDB=3qa2 \| SCENE= }}

	~~Authors: Abad, M.C.~~		===X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2===

	~~Description~~: X-~~ray Structure of ketohexokinase in~~ complex ~~with a pyrimidopyrimidine analog 2~~
			==About this Structure==
			[[3qa2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QA2 OCA].
			[[Category: Homo sapiens]]
			[[Category: Ketohexokinase]]
			[[Category: Abad, M C.]]
			[[Category: Atp binding]]
			[[Category: Ketohexokinase]]
			[[Category: Transferase-transferase inhibitor complex]]