7fx2
From Proteopedia
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| - | ==Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[[6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid== | + | ==Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[[6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid, i.e. SMILES N(C(=O)C1=C(CCCC1)C(=O)O)C1=C(C2=NC(=CS2)C)C2=C(S1)CC(CC2)(F)F with IC50=0.0587459 microM== |
<StructureSection load='7fx2' size='340' side='right'caption='[[7fx2]], [[Resolution|resolution]] 1.47Å' scene=''> | <StructureSection load='7fx2' size='340' side='right'caption='[[7fx2]], [[Resolution|resolution]] 1.47Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[7fx2]] 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=7FX2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FX2 FirstGlance]. <br> | <table><tr><td colspan='2'>[[7fx2]] 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=7FX2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FX2 FirstGlance]. <br> | ||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.47Å</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]] 1.47Å</td></tr> | ||
| - | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=QJQ:2- | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=QJQ:2-[[6,6-bis(fluoranyl)-3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4~{H}-1-benzothiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic+acid'>QJQ</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=7fx2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fx2 OCA], [https://pdbe.org/7fx2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fx2 RCSB], [https://www.ebi.ac.uk/pdbsum/7fx2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fx2 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=7fx2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fx2 OCA], [https://pdbe.org/7fx2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fx2 RCSB], [https://www.ebi.ac.uk/pdbsum/7fx2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fx2 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
Revision as of 06:18, 21 November 2024
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[[6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid, i.e. SMILES N(C(=O)C1=C(CCCC1)C(=O)O)C1=C(C2=NC(=CS2)C)C2=C(S1)CC(CC2)(F)F with IC50=0.0587459 microM
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Categories: Homo sapiens | Large Structures | Benz J | Ehler A | Obst U | Richter H | Rudolph MG
