7fxr
From Proteopedia
(Difference between revisions)
| Line 1: | Line 1: | ||
| - | ==Crystal Structure of human FABP4 in complex with 2-[rac-(9R,10S)-10-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid== | + | ==Crystal Structure of human FABP4 in complex with 2-[rac-(9R,10S)-10-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid, i.e. SMILES C12(C[C@H]([C@@H](CC1)CC(=O)O)Cc1ccccc1)OCC(CO2)(C)C with IC50=0.106 microM== |
<StructureSection load='7fxr' size='340' side='right'caption='[[7fxr]], [[Resolution|resolution]] 0.99Å' scene=''> | <StructureSection load='7fxr' size='340' side='right'caption='[[7fxr]], [[Resolution|resolution]] 0.99Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[7fxr]] 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=7FXR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FXR FirstGlance]. <br> | <table><tr><td colspan='2'>[[7fxr]] 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=7FXR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FXR 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]] 0.99Å</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]] 0.99Å</td></tr> | ||
| - | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TQO:[( | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TQO:2-[(9~{S},10~{R})-3,3-dimethyl-10-(phenylmethyl)-1,5-dioxaspiro[5.5]undecan-9-yl]ethanoic+acid'>TQO</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=7fxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fxr OCA], [https://pdbe.org/7fxr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fxr RCSB], [https://www.ebi.ac.uk/pdbsum/7fxr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fxr 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=7fxr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fxr OCA], [https://pdbe.org/7fxr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fxr RCSB], [https://www.ebi.ac.uk/pdbsum/7fxr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fxr ProSAT]</span></td></tr> | ||
</table> | </table> | ||
Current revision
Crystal Structure of human FABP4 in complex with 2-[rac-(9R,10S)-10-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid, i.e. SMILES C12(C[C@H]([C@@H](CC1)CC(=O)O)Cc1ccccc1)OCC(CO2)(C)C with IC50=0.106 microM
| |||||||||||
Categories: Homo sapiens | Large Structures | Benz J | Chen J | Ehler A | Obst U | Rudolph MG
