3hi6: Difference between revisions

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-[[Image:3hi6.png|left|200px]]
-{{STRUCTURE_3hi6|  PDB=3hi6  |  SCENE=  }}
+==Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57==
+<StructureSection load='3hi6' size='340' side='right'caption='[[3hi6]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3hi6]] is a 6 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=3HI6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3HI6 FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=3hi6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hi6 OCA], [https://pdbe.org/3hi6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3hi6 RCSB], [https://www.ebi.ac.uk/pdbsum/3hi6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3hi6 ProSAT]</span></td></tr>
+</table>
+== 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.
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/hi/3hi6_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</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=3hi6 ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The activity of integrin LFA-1 (alpha(L)beta(2)) to its ligand ICAM-1 is regulated through the conformational changes of its ligand-binding domain, the I domain of alpha(L) chain, from an inactive, low-affinity closed form (LA), to an intermediate-affinity form (IA), and then finally, to a high-affinity open form (HA). A ligand-mimetic human monoclonal antibody AL-57 (activated LFA-1 clone 57) was identified by phage display to specifically recognize the affinity-upregulated I domain. Here, we describe the crystal structures of the Fab fragment of AL-57 in complex with IA, as well as in its unligated form. We discuss the structural features conferring AL-57's strong selectivity for the high affinity, open conformation of the I domain. The AL-57-binding site overlaps the ICAM-1 binding site on the I domain. Furthermore, an antibody Asp mimics an ICAM Glu by forming a coordination to the metal-ion dependent adhesion site (MIDAS). The structure also reveals better shape complementarity and a more hydrophobic interacting interface in AL-57 binding than in ICAM-1 binding. The results explain AL-57's antagonistic mimicry of LFA-1's natural ligands, the ICAM molecules.
-===Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57===
+Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1.,Zhang H, Liu JH, Yang W, Springer T, Shimaoka M, Wang JH Proc Natl Acad Sci U S A. 2009 Oct 27;106(43):18345-50. Epub 2009 Sep 23. PMID:19805116<ref>PMID:19805116</ref>
-{{ABSTRACT_PUBMED_19805116}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-==About this Structure==
+<div class="pdbe-citations 3hi6" style="background-color:#fffaf0;"></div>
-[[3hi6]] is a 6 chain structure of [[Antibody]] 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=3HI6 OCA].
 ==See Also==
-*[[Antibody|Antibody]]
+*[[Antibody 3D structures|Antibody 3D structures]]
+*[[Integrin 3D structures|Integrin 3D structures]]
-==Reference==
+*[[3D structures of human antibody|3D structures of human antibody]]
-<ref group="xtra">PMID:019805116</ref><references group="xtra"/>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Wang, J.]]
+[[Category: Large Structures]]
-[[Category: Zhang, H.]]
+[[Category: Wang J]]
-[[Category: Cell adhesion]]
+[[Category: Zhang H]]
-[[Category: Cell adhesion-immune system complex]]
-[[Category: Disulfide bond]]
-[[Category: Fab]]
-[[Category: Glycoprotein]]
-[[Category: I domain]]
-[[Category: Integrin]]
-[[Category: Ligand mimetic antibody]]
-[[Category: Magnesium]]
-[[Category: Membrane]]
-[[Category: Receptor]]
-[[Category: Transmembrane]]