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[[Image:1cwo.gif|left|200px]]<br />
<applet load="1cwo" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1cwo, resolution 1.86&Aring;" />
'''HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN'''<br />


==Overview==
==HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN==
The crystal structure of (Thr2, Leu5, d-Hiv8, Leu10)-cyclosporin (cyclic, peptolide SDZ 214-103) has been determined as the unbound crystal form and, as a complex with human cyclophilin A. This pair of structures provides an, example of a significant difference in conformation between free and bound, ligand in crystals. The conformation of the unbound form is unlike that of, both free and bound conformations of cyclosporin A (with the amide bond, between residues 3 and 4 in the cis conformation), while the bound, conformation is similar to that of CsA bound to cyclophilin. The, cyclophilin-bound conformations of both ligands are similar, though this, involves a significantly different waterellipsisligand hydrogen-bonding, structure, which compensates for the chemical differences between ... [[http://ispc.weizmann.ac.il/pmbin/getpm?9769217 (full description)]]
<StructureSection load='1cwo' size='340' side='right'caption='[[1cwo]], [[Resolution|resolution]] 1.86&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1cwo]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Tolypocladium_inflatum Tolypocladium inflatum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CWO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1CWO 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]] 1.86&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMT:4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE'>BMT</scene>, <scene name='pdbligand=MLE:N-METHYLLEUCINE'>MLE</scene>, <scene name='pdbligand=MVA:N-METHYLVALINE'>MVA</scene>, <scene name='pdbligand=SAR:SARCOSINE'>SAR</scene>, <scene name='pdbligand=VAD:DEAMINOHYDROXYVALINE'>VAD</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=1cwo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1cwo OCA], [https://pdbe.org/1cwo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1cwo RCSB], [https://www.ebi.ac.uk/pdbsum/1cwo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1cwo 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/cw/1cwo_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=1cwo ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The crystal structure of (Thr2, Leu5, d-Hiv8, Leu10)-cyclosporin (cyclic peptolide SDZ 214-103) has been determined as the unbound crystal form and as a complex with human cyclophilin A. This pair of structures provides an example of a significant difference in conformation between free and bound ligand in crystals. The conformation of the unbound form is unlike that of both free and bound conformations of cyclosporin A (with the amide bond between residues 3 and 4 in the cis conformation), while the bound conformation is similar to that of CsA bound to cyclophilin. The cyclophilin-bound conformations of both ligands are similar, though this involves a significantly different waterellipsisligand hydrogen-bonding structure, which compensates for the chemical differences between the two ligands.


==About this Structure==
Conformational differences of an immunosuppressant peptolide in a single crystal and in a crystal complex with human cyclophilin A.,Mikol V, Taylor P, Kallen J, Walkinshaw MD J Mol Biol. 1998 Oct 23;283(2):451-61. PMID:9769217<ref>PMID:9769217</ref>
1CWO is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]]. 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]]. Structure known Active Site: BIN. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1CWO OCA]].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Conformational differences of an immunosuppressant peptolide in a single crystal and in a crystal complex with human cyclophilin A., Mikol V, Taylor P, Kallen J, Walkinshaw MD, J Mol Biol. 1998 Oct 23;283(2):451-61. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9769217 9769217]
</div>
<div class="pdbe-citations 1cwo" 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: Tolypocladium inflatum]]
[[Category: Kallen, J.]]
[[Category: Kallen J]]
[[Category: Mikol, V.]]
[[Category: Mikol V]]
[[Category: Taylor, P.]]
[[Category: Taylor P]]
[[Category: Walkinshaw, M.D.]]
[[Category: Walkinshaw MD]]
[[Category: complex (isomerase/immunosuppressant)]]
 
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