1xuo: Difference between revisions

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-[[Image:1xuo.jpg|left|200px]]
- {{Structure
+==X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution==
-|PDB= 1xuo |SIZE=350|CAPTION= <scene name='initialview01'>1xuo</scene>, resolution 1.80&Aring;
+<StructureSection load='1xuo' size='340' side='right'caption='[[1xuo]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
-|SITE=
+== Structural highlights ==
-|LIGAND= <scene name='pdbligand=LA1:(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE'>LA1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>
+<table><tr><td colspan='2'>[[1xuo]] 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=1XUO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1XUO FirstGlance]. <br>
-|ACTIVITY=
+</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>
-|GENE=
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=LA1:(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE'>LA1</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
-|DOMAIN=
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1xuo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xuo OCA], [https://pdbe.org/1xuo PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1xuo RCSB], [https://www.ebi.ac.uk/pdbsum/1xuo PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1xuo ProSAT]</span></td></tr>
-|RELATEDENTRY=[[1xdd|1XDD]], [[1xdg|1XDG]]
+</table>
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1xuo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xuo OCA], [http://www.ebi.ac.uk/pdbsum/1xuo PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1xuo RCSB]</span>
+== 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/xu/1xuo_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=1xuo ConSurf].
+<div style="clear:both"></div>
-'''X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution'''
+==See Also==
+*[[Integrin 3D structures|Integrin 3D structures]]
+__TOC__
-==Overview==
+</StructureSection>
-,4-Diazepane-2,5-diones (2) are found to be a new class of potent LFA-1 inhibitors. The synthesis, structure, and biological evaluation of these 1,4-diazepine-2,5-diones and related derivatives are described.
-==About this Structure==
-XUO is a [[Single protein]] structure of 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=1XUO OCA].
-==Reference==
-,4-Diazepane-2,5-diones as novel inhibitors of LFA-1., Wattanasin S, Kallen J, Myers S, Guo Q, Sabio M, Ehrhardt C, Albert R, Hommel U, Weckbecker G, Welzenbach K, Weitz-Schmidt G, Bioorg Med Chem Lett. 2005 Feb 15;15(4):1217-20. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15686945 15686945]
 [[Category: Homo sapiens]]
-[[Category: Single protein]]
+[[Category: Large Structures]]
-[[Category: Albert, R.]]
+[[Category: Albert R]]
-[[Category: Ehrhardt, C.]]
+[[Category: Ehrhardt C]]
-[[Category: Guo, Q.]]
+[[Category: Guo Q]]
-[[Category: Hommel, U.]]
+[[Category: Hommel U]]
-[[Category: Kallen, J.]]
+[[Category: Kallen J]]
-[[Category: Myers, S.]]
+[[Category: Myers S]]
-[[Category: Sabio, M.]]
+[[Category: Sabio M]]
-[[Category: Wattanasin, S.]]
+[[Category: Wattanasin S]]
-[[Category: Weckbecker, G.]]
+[[Category: Weckbecker G]]
-[[Category: Welzenbach, K.]]
+[[Category: Welzenbach K]]
-[[Category: i-domain]]
-[[Category: integrin]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:54:52 2008''