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3qai

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X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3

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Retrieved from "http://52.214.119.220/wiki/index.php/3qai"

Categories: Homo sapiens | Large Structures | Abad MC

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 ==X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3==
-<StructureSection load='3qai' size='340' side='right' caption='[[3qai]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
+<StructureSection load='3qai' size='340' side='right'caption='[[3qai]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[3qai]] 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=3QAI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QAI FirstGlance]. <br>
+<table><tr><td colspan='2'>[[3qai]] 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=3QAI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QAI 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=XNN:N~8~-(CYCLOPROPYLMETHYL)-2-(2,6-DIAZASPIRO[3.3]HEPT-2-YL)-N~4~-[2-(METHYLSULFANYL)PHENYL]PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE'>XNN</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]] 2.7&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3qa2|3qa2]], [[3nbv|3nbv]], [[3q92|3q92]], [[3nca|3nca]], [[3nc9|3nc9]], [[3nbw|3nbw]], [[3nc2|3nc2]]</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=XNN:N~8~-(CYCLOPROPYLMETHYL)-2-(2,6-DIAZASPIRO[3.3]HEPT-2-YL)-N~4~-[2-(METHYLSULFANYL)PHENYL]PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE'>XNN</scene></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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3qai FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qai OCA], [https://pdbe.org/3qai PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qai RCSB], [https://www.ebi.ac.uk/pdbsum/3qai PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qai 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/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=3qai FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qai OCA], [http://pdbe.org/3qai PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3qai RCSB], [http://www.ebi.ac.uk/pdbsum/3qai PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3qai ProSAT]</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>
+[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 &lt; 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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
-<div class="pdbe-citations 3qai" style="background-color:#fffaf0;"></div>
 ==See Also==
@@ Line 28: / Line 19: @@
 __TOC__
 </StructureSection>
-[[Category: Human]]
+[[Category: Homo sapiens]]
-[[Category: Ketohexokinase]]
+[[Category: Large Structures]]
-[[Category: Abad, M C]]
+[[Category: Abad MC]]
-[[Category: Atp binding]]
-[[Category: Transferase-transferase inhibitor complex]]

3qai

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X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3

Structural highlights

Disease

Function

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