5dby: Difference between revisions
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==Crystal Structure of Equine Serum Albumin in Complex with Diclofenac and Naproxen Obtained in Displacement Experiment== | |||
<StructureSection load='5dby' size='340' side='right'caption='[[5dby]], [[Resolution|resolution]] 2.35Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5dby]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Equus_caballus Equus caballus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DBY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5DBY 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]] 2.35Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=DIF:2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC+ACID'>DIF</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=LMR:(2S)-2-HYDROXYBUTANEDIOIC+ACID'>LMR</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</scene>, <scene name='pdbligand=NPS:(2S)-2-(6-METHOXYNAPHTHALEN-2-YL)PROPANOIC+ACID'>NPS</scene>, <scene name='pdbligand=SIN:SUCCINIC+ACID'>SIN</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=5dby FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5dby OCA], [https://pdbe.org/5dby PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5dby RCSB], [https://www.ebi.ac.uk/pdbsum/5dby PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5dby ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/ALBU_HORSE ALBU_HORSE] | |||
<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> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 5dby" style="background-color:#fffaf0;"></div> | ||
[[Category: Bujacz | |||
[[Category: | ==See Also== | ||
*[[Albumin 3D structures|Albumin 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Equus caballus]] | |||
[[Category: Large Structures]] | |||
[[Category: Bujacz A]] | |||
[[Category: Bujacz G]] | |||
[[Category: Sekula B]] | |||
Latest revision as of 14:25, 10 January 2024
Crystal Structure of Equine Serum Albumin in Complex with Diclofenac and Naproxen Obtained in Displacement ExperimentCrystal Structure of Equine Serum Albumin in Complex with Diclofenac and Naproxen Obtained in Displacement Experiment
Structural highlights
FunctionPublication Abstract from PubMedThe 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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