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[[Image:1w8m.jpg|left|200px]]<br /><applet load="1w8m" size="350" color="white" frame="true" align="right" spinBox="true"
caption="1w8m, resolution 1.65&Aring;" />
'''ENZYMATIC AND STRUCTURAL CHARACTERISATION OF NON PEPTIDE LIGAND CYCLOPHILIN COMPLEXES'''<br />


==Overview==
==Enzymatic and Structural Characterisation of Non Peptide Ligand Cyclophilin Complexes==
Piperidine ligands are described that provide the first examples of, non-peptidic ligand structures for the cyclophilin family of proteins., Crystal structures of two ligand complexes are compared with the, unliganded protein and show ligand-induced changes in side-chain, conformation and water binding. A peptidylprolyl cis-trans-isomerase assay, showed the dissociation constants of the two ligands to be 320 and 25 mM., This study also provides the first published data for both enzymatic, activity and three-dimensional structure for any protein-ligand complex, that binds with a high-millimolar dissociation constant. The structures, may be of relevance in the field of drug design, as they suggest starting, points for the design of larger tighter-binding analogues.
<StructureSection load='1w8m' size='340' side='right'caption='[[1w8m]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1w8m]] 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=1W8M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1W8M 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]] 1.65&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E1P:ETHYL+OXO(PIPERIDIN-1-YL)ACETATE'>E1P</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=1w8m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w8m OCA], [https://pdbe.org/1w8m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1w8m RCSB], [https://www.ebi.ac.uk/pdbsum/1w8m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1w8m ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PPIA_HUMAN PPIA_HUMAN] PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w8/1w8m_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1w8m ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Piperidine ligands are described that provide the first examples of non-peptidic ligand structures for the cyclophilin family of proteins. Crystal structures of two ligand complexes are compared with the unliganded protein and show ligand-induced changes in side-chain conformation and water binding. A peptidylprolyl cis-trans-isomerase assay showed the dissociation constants of the two ligands to be 320 and 25 mM. This study also provides the first published data for both enzymatic activity and three-dimensional structure for any protein-ligand complex that binds with a high-millimolar dissociation constant. The structures may be of relevance in the field of drug design, as they suggest starting points for the design of larger tighter-binding analogues.


==About this Structure==
Enzymatic and structural characterization of non-peptide ligand-cyclophilin complexes.,Kontopidis G, Taylor P, Walkinshaw MD Acta Crystallogr D Biol Crystallogr. 2004 Mar;60(Pt 3):479-85. Epub 2004, Feb 25. PMID:14993672<ref>PMID:14993672</ref>
1W8M is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=E1P:'>E1P</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] Known structural/functional Site: <scene name='pdbsite=AC1:E1p+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W8M OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Enzymatic and structural characterization of non-peptide ligand-cyclophilin complexes., Kontopidis G, Taylor P, Walkinshaw MD, Acta Crystallogr D Biol Crystallogr. 2004 Mar;60(Pt 3):479-85. Epub 2004, Feb 25. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=14993672 14993672]
</div>
<div class="pdbe-citations 1w8m" style="background-color:#fffaf0;"></div>
 
==See Also==
*[[Cyclophilin 3D structures|Cyclophilin 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Peptidylprolyl isomerase]]
[[Category: Large Structures]]
[[Category: Single protein]]
[[Category: Kontopidis G]]
[[Category: Kontopidis, G.]]
[[Category: Taylor P]]
[[Category: Taylor, P.]]
[[Category: Walkinshaw M]]
[[Category: Walkinshaw, M.]]
[[Category: E1P]]
[[Category: 3d-structure]]
[[Category: complex (isomerase/immunosuppressant)]]
[[Category: isomerase]]
[[Category: multigene family]]
[[Category: non peptide ligand]]
[[Category: rotamase]]
 
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Retrieved from "https://proteopedia.org/1w8m"