6ock: Difference between revisions

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-'''Unreleased structure'''
-The entry 6ock is ON HOLD  until Paper Publication
+==Crystal Structure of Leporine Serum Albumin in Complex with Ketoprofen==
+<StructureSection load='6ock' size='340' side='right'caption='[[6ock]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6ock]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OCK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6OCK FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2J3:(2R)-2-{[(2R)-2-{[(2R)-2-HYDROXYPROPYL]OXY}PROPYL]OXY}PROPAN-1-OL'>2J3</scene>, <scene name='pdbligand=9KL:(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic+acid'>9KL</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene>, <scene name='pdbligand=POG:(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL'>POG</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ock FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ock OCA], [http://pdbe.org/6ock PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ock RCSB], [http://www.ebi.ac.uk/pdbsum/6ock PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ock ProSAT]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Serum albumin, the most abundant transport protein of mammalian blood, interacts with various nonsteroidal anti-inflammatory drugs (NSAIDs) affecting their disposition, metabolism, and excretion. A big group of chiral NSAIDs transported by albumin, profens, is created by derivatives of 2-arylpropionic acid. The chiral center in the structures of profens is adjacent to the carboxylate moiety and often determines different pharmacological properties of profen enantiomers. This study describes crystal structures of two albumins, isolated from equine and leporine serum, in complexes with three profens: ibuprofen, ketoprofen, and suprofen. Based on three-dimensional structures, the stereoselectivity of albumin is discussed and referred to the previously published albumin complexes with drugs. Drug Site 2 (DS2) of albumin, the bulky hydrophobic pocket of subdomain IIIA with a patch of polar residues, preferentially binds (S)-enantiomers of all investigated profens. Almost identical binding mode of all these drugs clearly indicates the stereoselectivity of DS2 towards (S)-profens in different albumin species. Also, the affinity studies show that DS2 is the major site that presents high affinity towards investigated drugs. Additionally, crystallographic data reveal the secondary binding sites of ketoprofen in leporine serum albumin and ibuprofen in equine serum albumin, both overlapping with previously identified naproxen binding sites: the cleft formed between subdomains IIIA and IIIB close to the fatty acid binding site 5 and the niche created between subdomains IIA and IIIA, called fatty acid site 6.
-Authors: Zielinski, K., Sekula, B., Bujacz, A., Bujacz, G.
+Structural investigations of stereoselective profen binding by equine and leporine serum albumins.,Zielinski K, Sekula B, Bujacz A, Szymczak I Chirality. 2020 Mar;32(3):334-344. doi: 10.1002/chir.23162. Epub 2020 Jan 6. PMID:31905261<ref>PMID:31905261</ref>
-Description: Crystal Structure of Leporine Serum Albumin in Complex with Ketoprofen
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
+<div class="pdbe-citations 6ock" style="background-color:#fffaf0;"></div>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Oryctolagus cuniculus]]
+[[Category: Bujacz, A]]
+[[Category: Bujacz, G]]
 [[Category: Sekula, B]]
-[[Category: Bujacz, G]]
 [[Category: Zielinski, K]]
-[[Category: Bujacz, A]]
+[[Category: Helical]]
+[[Category: Serum albumin]]
+[[Category: Three-domain protein]]
+[[Category: Transport protein]]