4zbq
From Proteopedia
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| - | ''' | + | ==Crystal Structure of Equine Serum Albumin in complex with Diclofenac== |
| + | <StructureSection load='4zbq' size='340' side='right' caption='[[4zbq]], [[Resolution|resolution]] 1.92Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4zbq]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Equus_caballus Equus caballus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZBQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ZBQ FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=DIF:2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC+ACID'>DIF</scene>, <scene name='pdbligand=LMR:(2S)-2-HYDROXYBUTANEDIOIC+ACID'>LMR</scene>, <scene name='pdbligand=SIN:SUCCINIC+ACID'>SIN</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4ot2|4ot2]], [[4j2v|4j2v]], [[4f5t|4f5t]], [[4f5u|4f5u]]</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=4zbq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4zbq OCA], [http://pdbe.org/4zbq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4zbq RCSB], [http://www.ebi.ac.uk/pdbsum/4zbq PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The binding modes to equine serum albumin (ESA) of two nonsteroidal anti-inflammatory drugs (NSAIDs), diclofenac (Dic) and naproxen (Nps), were studied by X-ray crystallography and isothermal titration calorimetry. Based on the crystal structure of ESA/Dic determined to the resolution of 1.92 A and on the structure the previously described ESA/Nps complex (2.42 A) it was found that both NSAIDs bind within Drug Site 2 (DS2) of ESA and, in addition, both occupy secondary binding sites in separate cavities of domain II (Nps) and domain III (Dic). The two structures of the ternary complex ESA/Dic/Nps, obtained by competitive cocrystallization (2.19 A) and through a displacement experiment (2.35 A), were determined to investigate possible competition of these widely used pharmaceutical drugs in binding to ESA. In these complexes Nps occupies the DS2 pocket common for both drugs, whereas the other distinct binding sites of Dic and Nps remain unaffected. These results suggest that combined application of both drugs may result in increased concentration of free diclofenac in plasma. | ||
| - | + | Structural insights into the competitive binding of diclofenac and naproxen by equine serum albumin.,Sekula B, Bujacz AD J Med Chem. 2015 Dec 10. PMID:26652101<ref>PMID:26652101</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 4zbq" style="background-color:#fffaf0;"></div> | |
| - | [[Category: | + | == References == |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Equus caballus]] | ||
| + | [[Category: Bujacz, A]] | ||
| + | [[Category: Bujacz, G]] | ||
[[Category: Sekula, B]] | [[Category: Sekula, B]] | ||
| - | [[Category: | + | [[Category: Diclofenac]] |
| - | [[Category: | + | [[Category: Drugs delivery]] |
| + | [[Category: Helical]] | ||
| + | [[Category: Serum albumin]] | ||
| + | [[Category: Three-domain protein]] | ||
| + | [[Category: Transport protein]] | ||
Revision as of 12:42, 23 December 2015
Crystal Structure of Equine Serum Albumin in complex with Diclofenac
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