3bqm: Difference between revisions

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== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3bqm]] 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=3BQM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BQM FirstGlance]. <br>
<table><tr><td colspan='2'>[[3bqm]] 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=3BQM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BQM FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BQM:3-({4-[(1E)-3-MORPHOLIN-4-YL-3-OXOPROP-1-EN-1-YL]-2,3-BIS(TRIFLUOROMETHYL)PHENYL}SULFANYL)ANILINE'>BQM</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.95&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3bqn|3bqn]]</div></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BQM:3-({4-[(1E)-3-MORPHOLIN-4-YL-3-OXOPROP-1-EN-1-YL]-2,3-BIS(TRIFLUOROMETHYL)PHENYL}SULFANYL)ANILINE'>BQM</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ITGAL, CD11A ([https://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'>[https://proteopedia.org/fgij/fg.htm?mol=3bqm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bqm OCA], [https://pdbe.org/3bqm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bqm RCSB], [https://www.ebi.ac.uk/pdbsum/3bqm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bqm 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=3bqm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bqm OCA], [https://pdbe.org/3bqm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bqm RCSB], [https://www.ebi.ac.uk/pdbsum/3bqm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bqm ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[https://www.uniprot.org/uniprot/ITAL_HUMAN 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.  
[https://www.uniprot.org/uniprot/ITAL_HUMAN 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 ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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</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=3bqm ConSurf].
</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=3bqm ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A series of meta-substituted anilines were designed and synthesized to inhibit the interaction of LFA-1 with ICAM for the treatment of autoimmune disease. Design of these molecules was performed by utilizing a co-crystal structure for structure-based drug design. The resulting molecules were found to be potent and to possess favorable pharmaceutical properties.
Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors.,Guckian KM, Lin EY, Silvian L, Friedman JE, Chin D, Scott DM Bioorg Med Chem Lett. 2008 Oct 1;18(19):5249-51. Epub 2008 Aug 22. PMID:18778938<ref>PMID:18778938</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3bqm" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Integrin 3D structures|Integrin 3D structures]]
*[[Integrin 3D structures|Integrin 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Silvian, L F]]
[[Category: Silvian LF]]
[[Category: Alternative splicing]]
[[Category: Calcium]]
[[Category: Cell adhesion]]
[[Category: Glycoprotein]]
[[Category: Integrin]]
[[Category: Leukocyte function associated antigen-1]]
[[Category: Lfa-1 i domain]]
[[Category: Magnesium]]
[[Category: Membrane]]
[[Category: Polymorphism]]
[[Category: Receptor]]
[[Category: Transmembrane]]

Latest revision as of 09:30, 21 February 2024

LFA-1 I domain bound to inhibitors

3bqm, resolution 1.95Å

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