3kc1

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[[Image:3kc1.png|left|200px]]
 
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{{STRUCTURE_3kc1| PDB=3kc1 | SCENE= }}
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==Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a==
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<StructureSection load='3kc1' size='340' side='right'caption='[[3kc1]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3kc1]] is a 4 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=3KC1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KC1 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.25&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2T6:{[(7-CARBAMOYL-8H-INDENO[1,2-D][1,3]THIAZOL-4-YL)OXY]METHYL}PHOSPHONIC+ACID'>2T6</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3kc1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kc1 OCA], [https://pdbe.org/3kc1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kc1 RCSB], [https://www.ebi.ac.uk/pdbsum/3kc1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kc1 ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/F16P1_HUMAN F16P1_HUMAN] Defects in FBP1 are the cause of fructose-1,6-bisphosphatase deficiency (FBPD) [MIM:[https://omim.org/entry/229700 229700]. FBPD is inherited as an autosomal recessive disorder mainly in the liver and causes life-threatening episodes of hypoglycemia and metabolic acidosis (lactacidemia) in newborn infants or young children.<ref>PMID:9382095</ref> <ref>PMID:12126934</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/F16P1_HUMAN F16P1_HUMAN]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kc/3kc1_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3kc1 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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With the goal of improving metabolic stability and further enhancing FBPase inhibitory activity, a series of tricyclic 8H-indeno[1,2-d][1,3]thiazoles was designed and synthesized with the aid of structure-based drug design. Extensive SAR studies led to the discovery of 19a with an IC(50) value of 1nM against human FBPase. X-ray crystallographic studies revealed that high affinity of 19a was due to the hydrophobic interaction arising from better shape complementarity and to the hydrogen bonding network involving the side chain on the tricyclic scaffold.
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===Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a===
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Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.,Tsukada T, Takahashi M, Takemoto T, Kanno O, Yamane T, Kawamura S, Nishi T Bioorg Med Chem Lett. 2010 Feb 1;20(3):1004-7. Epub 2009 Dec 21. PMID:20045638<ref>PMID:20045638</ref>
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{{ABSTRACT_PUBMED_20045638}}
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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==About this Structure==
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<div class="pdbe-citations 3kc1" style="background-color:#fffaf0;"></div>
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[[3kc1]] is a 4 chain structure of [[Fructose-1%2C6-bisphosphatase]] 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=3KC1 OCA].
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==See Also==
==See Also==
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*[[Fructose-1%2C6-bisphosphatase|Fructose-1%2C6-bisphosphatase]]
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*[[Fructose-1%2C6-bisphosphatase 3D structures|Fructose-1%2C6-bisphosphatase 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:020045638</ref><references group="xtra"/>
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__TOC__
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[[Category: Fructose-bisphosphatase]]
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Hanzawa, H.]]
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[[Category: Large Structures]]
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[[Category: Sone, J.]]
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[[Category: Hanzawa H]]
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[[Category: Takahashi, M.]]
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[[Category: Sone J]]
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[[Category: Allosteric enzyme]]
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[[Category: Takahashi M]]
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[[Category: Carbohydrate metabolism]]
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[[Category: Disease mutation]]
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[[Category: Gluconeogenesis]]
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[[Category: Hydrolase]]
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[[Category: Magnesium]]
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[[Category: Metal-binding]]
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Current revision

Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a

PDB ID 3kc1

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