5y13: Difference between revisions

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<StructureSection load='5y13' size='340' side='right'caption='[[5y13]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
<StructureSection load='5y13' size='340' side='right'caption='[[5y13]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5y13]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y13 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5Y13 FirstGlance]. <br>
<table><tr><td colspan='2'>[[5y13]] 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=5Y13 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5Y13 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8K0:5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic+acid'>8K0</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]] 1.75&#8491;</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5y13 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y13 OCA], [http://pdbe.org/5y13 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y13 RCSB], [http://www.ebi.ac.uk/pdbsum/5y13 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y13 ProSAT]</span></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8K0:5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic+acid'>8K0</scene></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=5y13 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y13 OCA], [https://pdbe.org/5y13 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5y13 RCSB], [https://www.ebi.ac.uk/pdbsum/5y13 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5y13 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://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).  
[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).
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Fatty acid binding protein 4 (FABP4) plays a critical role in metabolism and inflammatory processes and therefore is a potential therapeutic target for immunometabolic diseases such as diabetes and atherosclerosis. Herein, we reported the identification of naphthalene-1-sulfonamide derivatives as novel, potent and selective FABP4 inhibitors by applying a structure-based design strategy. The binding affinities of compounds 16dk, 16do and 16du to FABP4, at the molecular level, are equivalent to or even better than that of BMS309403. The X-ray crystallography complemented by the isothermal titration calorimetry studies revealed the binding mode of this series of inhibitors and the pivotal network of ordered water molecules in the binding pocket of FABP4. Moreover, compounds 16dk and 16do showed good metabolic stabilities in liver microsomes. Further extensive in vivo study demonstrated that 16dk and 16do exhibited a dramatic improvement in glucose and lipid metabolism, by decreasing fasting blood glucose and serum lipid levels, enhancing insulin sensitivity, and ameliorating hepatic steatosis in obese diabetic (db/db) mice.
 
From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4.,Gao DD, Dou HX, Su HX, Zhang MM, Wang T, Liu QF, Cai HY, Ding HP, Yang Z, Zhu WL, Xu YC, Wang HY, Li YX Eur J Med Chem. 2018 May 9;154:44-59. doi: 10.1016/j.ejmech.2018.05.007. PMID:29775936<ref>PMID:29775936</ref>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5y13" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Fatty acid-binding protein 3D structures|Fatty acid-binding protein 3D structures]]
*[[Fatty acid-binding protein 3D structures|Fatty acid-binding protein 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Liu, Q F]]
[[Category: Liu QF]]
[[Category: Su, H X]]
[[Category: Su HX]]
[[Category: Xu, Y C]]
[[Category: Xu YC]]
[[Category: Fabp4]]
[[Category: Inhibitor]]
[[Category: Lipid binding protein]]

Latest revision as of 13:21, 27 March 2024

Crystal structure of human FABP4 complexed with ligand 5-((4-bromonaphthalene)-1-sulfonamido)pentanoic acidCrystal structure of human FABP4 complexed with ligand 5-((4-bromonaphthalene)-1-sulfonamido)pentanoic acid

Structural highlights

5y13 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.75Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

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).

See Also

5y13, resolution 1.75Å

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