5hi4

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Current revision (07:37, 9 August 2023) (edit) (undo)
 
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==Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists==
==Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists==
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<StructureSection load='5hi4' size='340' side='right' caption='[[5hi4]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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<StructureSection load='5hi4' size='340' side='right'caption='[[5hi4]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5hi4]] is a 7 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HI4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HI4 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5hi4]] is a 7 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] and [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HI4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5HI4 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=63P:(9S,17R)-6-chloro-N-methyl-9-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10,19-dioxo-2-oxa-11,18-diazaspiro[cyclopentane-1,21-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1(24),3(29),4,6,12,14,22,25,27-nonaene-17-carboxamide'>63P</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]] 1.8&#8491;</td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></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=63P:(9S,17R)-6-chloro-N-methyl-9-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10,19-dioxo-2-oxa-11,18-diazaspiro[cyclopentane-1,21-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1(24),3(29),4,6,12,14,22,25,27-nonaene-17-carboxamide'>63P</scene>, <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5hhv|5hhv]], [[5hhx|5hhx]], [[5hi3|5hi3]], [[5hi5|5hi5]]</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=5hi4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hi4 OCA], [https://pdbe.org/5hi4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5hi4 RCSB], [https://www.ebi.ac.uk/pdbsum/5hi4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5hi4 ProSAT]</span></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">IL17A, CTLA8, IL17 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
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<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=5hi4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hi4 OCA], [http://pdbe.org/5hi4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hi4 RCSB], [http://www.ebi.ac.uk/pdbsum/5hi4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5hi4 ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/IL17_HUMAN IL17_HUMAN]] Induces stromal cells to produce proinflammatory and hematopoietic cytokines. Enhances the surface expression of ICAM1/intracellular adhesion molecule 1 in fibroblasts.
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[https://www.uniprot.org/uniprot/IL17_HUMAN IL17_HUMAN] Induces stromal cells to produce proinflammatory and hematopoietic cytokines. Enhances the surface expression of ICAM1/intracellular adhesion molecule 1 in fibroblasts.
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</div>
</div>
<div class="pdbe-citations 5hi4" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 5hi4" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Interleukin 3D structures|Interleukin 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Liu, S]]
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[[Category: Large Structures]]
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[[Category: Il-17a]]
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[[Category: Synthetic construct]]
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[[Category: Immune system-inhibitor complex]]
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[[Category: Liu S]]
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[[Category: Inhibitor]]
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[[Category: Macrocycle]]
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[[Category: Md simulation]]
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[[Category: Psoriasis]]
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[[Category: Sulfonyl fluoride]]
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Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists

PDB ID 5hi4

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