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1tou

From Proteopedia

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[[Image:1tou.gif|left|200px]]<br /><applet load="1tou" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1tou, resolution 2.00&Aring;" />
 
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'''Crystal structure of human adipocyte fatty acid binding protein in complex with a non-covalent ligand'''<br />
 
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==Overview==
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==Crystal structure of human adipocyte fatty acid binding protein in complex with a non-covalent ligand==
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The synthesis and biological evaluation of novel human A-FABP inhibitors based on the 6-(trifluoromethyl)pyrimidine-4(1H)-one scaffold is described. Two series of compounds, bearing either an amino or carbon substituent in the 2-position of the pyrimidine ring were investigated. Modification of substituents and chain length optimization led to novel compounds with low micromolar activity and good selectivity for human A-FABP.
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<StructureSection load='1tou' size='340' side='right'caption='[[1tou]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1tou]] is a 1 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=1TOU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1TOU 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&#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=B1V:2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)SULFANYL]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL'>B1V</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=1tou FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1tou OCA], [https://pdbe.org/1tou PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1tou RCSB], [https://www.ebi.ac.uk/pdbsum/1tou PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1tou ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/FABP4_HUMAN FABP4_HUMAN] Lipid transport protein in adipocytes. Binds both long chain fatty acids and retinoic acid. Delivers long-chain fatty acids and retinoic acid to their cognate receptors in the nucleus (By similarity).
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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/to/1tou_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=1tou ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1TOU is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=B1V:'>B1V</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1TOU OCA].
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*[[Fatty acid-binding protein 3D structures|Fatty acid-binding protein 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Substituted benzylamino-6-(trifluoromethyl)pyrimidin-4(1H)-ones: a novel class of selective human A-FABP inhibitors., Ringom R, Axen E, Uppenberg J, Lundback T, Rondahl L, Barf T, Bioorg Med Chem Lett. 2004 Sep 6;14(17):4449-52. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15357970 15357970]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Axen, E.]]
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[[Category: Axen E]]
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[[Category: Barf, T.]]
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[[Category: Barf T]]
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[[Category: Lundback, T.]]
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[[Category: Lundback T]]
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[[Category: Ringom, R.]]
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[[Category: Ringom R]]
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[[Category: Rondahl, L.]]
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[[Category: Rondahl L]]
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[[Category: Uppenberg, J.]]
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[[Category: Uppenberg J]]
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[[Category: B1V]]
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[[Category: lipid-binding]]
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[[Category: transport]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:15:48 2008''
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Current revision

Crystal structure of human adipocyte fatty acid binding protein in complex with a non-covalent ligand

PDB ID 1tou

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