3e2m: Difference between revisions

From Proteopedia
Jump to navigation Jump to search
← Older editNewer edit →
No edit summary
No edit summary
Line 1: Line 1:


==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]] 2.00&Aring;' scene=''>
<StructureSection load='3e2m' size='340' side='right'caption='[[3e2m]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3e2m]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E2M OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3E2M FirstGlance]. <br>
<table><tr><td colspan='2'>[[3e2m]] 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=3E2M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3E2M FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=E2M:CIS-4-{[2-({4-[(1E)-3-MORPHOLIN-4-YL-3-OXOPROP-1-EN-1-YL]-2,3-BIS(TRIFLUOROMETHYL)PHENYL}SULFANYL)PHENOXY]METHYL}CYCLOHEXANECARBOXYLIC+ACID'>E2M</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=E2M:CIS-4-{[2-({4-[(1E)-3-MORPHOLIN-4-YL-3-OXOPROP-1-EN-1-YL]-2,3-BIS(TRIFLUOROMETHYL)PHENYL}SULFANYL)PHENOXY]METHYL}CYCLOHEXANECARBOXYLIC+ACID'>E2M</scene></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='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3bqn|3bqn]], [[3bqm|3bqm]]</div></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 ([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'>[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>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3e2m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e2m OCA], [https://pdbe.org/3e2m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3e2m RCSB], [https://www.ebi.ac.uk/pdbsum/3e2m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3e2m ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://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]]
Line 32: Line 32:


==See Also==
==See Also==
*[[Integrin|Integrin]]
*[[Integrin 3D structures|Integrin 3D structures]]
== References ==
== References ==
<references/>
<references/>
Line 38: Line 38:
</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Silvian, L F]]
[[Category: Silvian, L F]]
[[Category: Alternative splicing]]
[[Category: Alternative splicing]]

Revision as of 14:39, 16 February 2022

LFA-1 I domain bound to inhibitorsLFA-1 I domain bound to inhibitors

Structural highlights

3e2m is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Gene:ITGAL, CD11A (Homo sapiens)
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

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 PubMed

LFA-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 Also

References

  1. ↑ Lin EY, Guckian KM, Silvian L, Chin D, Boriack-Sjodin PA, van Vlijmen H, Friedman JE, Scott DM. Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors. Bioorg Med Chem Lett. 2008 Oct 1;18(19):5245-8. Epub 2008 Aug 22. PMID:18783948 doi:10.1016/j.bmcl.2008.08.062

3e2m, resolution 2.00Å

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA
Retrieved from "https://proteopedia.openfox.io/wiki/index.php?title=3e2m&oldid=3518611"