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3ikg

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Current revision (07:52, 6 September 2023) (edit) (undo)
 
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<StructureSection load='3ikg' size='340' side='right'caption='[[3ikg]], [[Resolution|resolution]] 1.86&Aring;' scene=''>
<StructureSection load='3ikg' size='340' side='right'caption='[[3ikg]], [[Resolution|resolution]] 1.86&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3ikg]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3IKG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3IKG FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3ikg]] is a 2 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=3IKG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3IKG FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=J8Z:(2R)-2-[(1-BENZOTHIOPHEN-2-YLCARBONYL)AMINO]-3-(3-METHYLPHENYL)PROPYL+PHOSPHATE'>J8Z</scene></td></tr>
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</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>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3i6c|3i6c]], [[3ik8|3ik8]], [[3ikd|3ikd]]</div></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=J8Z:(2R)-2-[(1-BENZOTHIOPHEN-2-YLCARBONYL)AMINO]-3-(3-METHYLPHENYL)PROPYL+PHOSPHATE'>J8Z</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PIN1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3ikg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ikg OCA], [https://pdbe.org/3ikg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ikg RCSB], [https://www.ebi.ac.uk/pdbsum/3ikg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ikg ProSAT]</span></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=3ikg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ikg OCA], [https://pdbe.org/3ikg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3ikg RCSB], [https://www.ebi.ac.uk/pdbsum/3ikg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3ikg ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[https://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN]] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis-promoting activity. Displays a preference for an acidic residue N-terminal to the isomerized proline bond. Catalyzes pSer/Thr-Pro cis/trans isomerizations. Down-regulates kinase activity of BTK. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:15664191</ref> <ref>PMID:16644721</ref> <ref>PMID:21497122</ref>
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[https://www.uniprot.org/uniprot/PIN1_HUMAN PIN1_HUMAN] Essential PPIase that regulates mitosis presumably by interacting with NIMA and attenuating its mitosis-promoting activity. Displays a preference for an acidic residue N-terminal to the isomerized proline bond. Catalyzes pSer/Thr-Pro cis/trans isomerizations. Down-regulates kinase activity of BTK. Can transactivate multiple oncogenes and induce centrosome amplification, chromosome instability and cell transformation. Required for the efficient dephosphorylation and recycling of RAF1 after mitogen activation.<ref>PMID:15664191</ref> <ref>PMID:16644721</ref> <ref>PMID:21497122</ref>
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Peptidylprolyl isomerase]]
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[[Category: Ferre RA]]
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[[Category: Ferre, R A]]
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[[Category: Greasley S]]
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[[Category: Greasley, S]]
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[[Category: Matthews D]]
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[[Category: Matthews, D]]
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[[Category: Parge H]]
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[[Category: Parge, H]]
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[[Category: Cell cycle]]
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[[Category: Isomerase]]
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[[Category: Nucleus]]
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[[Category: Peptidyl-prolyl cis-trans isomerase]]
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[[Category: Phosphoprotein]]
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[[Category: Ppiase]]
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[[Category: Rotamase]]
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[[Category: Sbdd]]
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[[Category: Small molecule]]
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Current revision

Structure-Based Design of Novel PIN1 Inhibitors (I)

PDB ID 3ikg

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Proteopedia Page Contributors and Editors (what is this?)

OCA

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