3a29

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{{STRUCTURE_3a29| PDB=3a29 | SCENE= }}
 
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===Crystal structure of human liver FBPase in complex with tricyclic inhibitor===
 
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{{ABSTRACT_PUBMED_19762234}}
 
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==Disease==
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==Crystal structure of human liver FBPase in complex with tricyclic inhibitor==
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[[http://www.uniprot.org/uniprot/F16P1_HUMAN F16P1_HUMAN]] Defects in FBP1 are the cause of fructose-1,6-bisphosphatase deficiency (FBPD) [MIM:[http://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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<StructureSection load='3a29' size='340' side='right'caption='[[3a29]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3a29]] 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=3A29 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3A29 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]] 2.6&#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=2T0:2-AMINO-4,5-DIHYDRONAPHTHO[1,2-D][1,3]THIAZOL-8-YL+DIHYDROGEN+PHOSPHATE'>2T0</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=3a29 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3a29 OCA], [https://pdbe.org/3a29 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3a29 RCSB], [https://www.ebi.ac.uk/pdbsum/3a29 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3a29 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/a2/3a29_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=3a29 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 aim of discovering a novel class of fructose-1,6-bisphosphatase (FBPase) inhibitors, a series of compounds based on tricyclic scaffolds was synthesized. Extensive SAR studies led to the finding of 8l with an IC50 value of 0.013 microM against human FBPase. An X-ray crystallographic study revealed that 8l bound at AMP binding sites of human liver FBPase with hydrogen bonding interactions similar to AMP.
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==About this Structure==
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Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors.,Tsukada T, Takahashi M, Takemoto T, Kanno O, Yamane T, Kawamura S, Nishi T Bioorg Med Chem Lett. 2009 Oct 15;19(20):5909-12. Epub 2009 Aug 27. PMID:19762234<ref>PMID:19762234</ref>
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[[3a29]] is a 4 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=3A29 OCA].
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==See Also==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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*[[Fructose-1%2C6-bisphosphatase|Fructose-1%2C6-bisphosphatase]]
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</div>
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<div class="pdbe-citations 3a29" style="background-color:#fffaf0;"></div>
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==Reference==
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==See Also==
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<ref group="xtra">PMID:019762234</ref><references group="xtra"/><references/>
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*[[Fructose-1%2C6-bisphosphatase 3D structures|Fructose-1%2C6-bisphosphatase 3D structures]]
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[[Category: Fructose-bisphosphatase]]
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== References ==
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<references/>
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__TOC__
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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

PDB ID 3a29

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