5d4a: Difference between revisions
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== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5d4a]] 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=5D4A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5D4A FirstGlance]. <br> | <table><tr><td colspan='2'>[[5d4a]] 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=5D4A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5D4A FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=57Q:3-(2-PHENYL-1H-INDOL-1-YL)PROPANOIC+ACID'>57Q</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]] 1.7Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=57Q:3-(2-PHENYL-1H-INDOL-1-YL)PROPANOIC+ACID'>57Q</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=5d4a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5d4a OCA], [https://pdbe.org/5d4a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5d4a RCSB], [https://www.ebi.ac.uk/pdbsum/5d4a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5d4a ProSAT]</span></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=5d4a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5d4a OCA], [https://pdbe.org/5d4a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5d4a RCSB], [https://www.ebi.ac.uk/pdbsum/5d4a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5d4a ProSAT]</span></td></tr> | ||
</table> | </table> | ||
Latest revision as of 19:14, 8 November 2023
Crystal Structure of FABP4 in complex with 3-(2-phenyl-1H-indol-1-yl)propanoic acidCrystal Structure of FABP4 in complex with 3-(2-phenyl-1H-indol-1-yl)propanoic acid
Structural highlights
FunctionFABP4_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). Publication Abstract from PubMedX-ray crystal structural determination of FABP4 in complex with four inhibitors revealed the complex binding modes, and the resulting observations led to improvement of the inhibitory potency of FABP4 inhibitors. However, the detailed structure-activity relationship (SAR) could not be explained from these structural observations. For a more detailed understanding of the interactions between FABP4 and inhibitors, fragment molecular orbital analyses were performed. These analyses revealed that the total interfragment interaction energies of FABP4 and each inhibitor correlated with the ranking of the K i value for the four inhibitors. Furthermore, interactions between each inhibitor and amino acid residues in FABP4 were identified. The oxygen atom of Lys58 in FABP4 was found to be very important for strong interactions with FABP4. These results might provide useful information for the development of novel potent FABP4 inhibitors. Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis.,Tagami U, Takahashi K, Igarashi S, Ejima C, Yoshida T, Takeshita S, Miyanaga W, Sugiki M, Tokumasu M, Hatanaka T, Kashiwagi T, Ishikawa K, Miyano H, Mizukoshi T ACS Med Chem Lett. 2016 Feb 16;7(4):435-9. doi: 10.1021/acsmedchemlett.6b00040., eCollection 2016 Apr 14. PMID:27096055[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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