3e2m: Difference between revisions
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==LFA-1 I domain bound to inhibitors== | ==LFA-1 I domain bound to inhibitors== | ||
<StructureSection load='3e2m' size='340' side='right' caption='[[3e2m]], [[Resolution|resolution]] 2.00Å' scene=''> | <StructureSection load='3e2m' size='340' side='right' caption='[[3e2m]], [[Resolution|resolution]] 2.00Å' scene=''> | ||
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3bqn|3bqn]], [[3bqm|3bqm]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3bqn|3bqn]], [[3bqm|3bqm]]</td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ITGAL, CD11A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr> | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ITGAL, CD11A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr> | ||
<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=3e2m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e2m OCA], [http://pdbe.org/3e2m PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3e2m RCSB], [http://www.ebi.ac.uk/pdbsum/3e2m PDBsum]</span></td></tr> | <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=3e2m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e2m OCA], [http://pdbe.org/3e2m PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3e2m RCSB], [http://www.ebi.ac.uk/pdbsum/3e2m PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3e2m ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
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Check<jmol> | Check<jmol> | ||
<jmolCheckbox> | <jmolCheckbox> | ||
<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/e2/3e2m_consurf.spt"</scriptWhenChecked> | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/e2/3e2m_consurf.spt"</scriptWhenChecked> | ||
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Silvian, L F]] | [[Category: Silvian, L F]] | ||
[[Category: Alternative splicing]] | |||
[[Category: Calcium]] | |||
[[Category: Cell adhesion]] | [[Category: Cell adhesion]] | ||
[[Category: Glycoprotein]] | [[Category: Glycoprotein]] | ||
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[[Category: Magnesium]] | [[Category: Magnesium]] | ||
[[Category: Membrane]] | [[Category: Membrane]] | ||
[[Category: Polymorphism]] | |||
[[Category: Receptor]] | [[Category: Receptor]] | ||
[[Category: Transmembrane]] | [[Category: Transmembrane]] | ||
Revision as of 01:08, 3 December 2018
LFA-1 I domain bound to inhibitorsLFA-1 I domain bound to inhibitors
Structural highlights
Function[ITAL_HUMAN] Integrin alpha-L/beta-2 is a receptor for ICAM1, ICAM2, ICAM3 and ICAM4. It is involved in a variety of immune phenomena including leukocyte-endothelial cell interaction, cytotoxic T-cell mediated killing, and antibody dependent killing by granulocytes and monocytes. Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMedLFA-1 ICAM inhibitors based on ortho- and meta-phenol templates were designed and synthesized by Mitsunobu chemistry. The selection of targets was guided by X-ray co-crystal data, and led to compounds which showed an up to 30-fold increase in potency over reference compound 1 in the LFA-1/ICAM1-Ig assay. The most active compound exploited a new hydrogen bond to the I-domain and exhibited subnanomolar potency. Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors.,Lin EY, Guckian KM, Silvian L, Chin D, Boriack-Sjodin PA, van Vlijmen H, Friedman JE, Scott DM Bioorg Med Chem Lett. 2008 Oct 1;18(19):5245-8. Epub 2008 Aug 22. PMID:18783948[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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