2xg5: Difference between revisions

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-{{Seed}}
-[[Image:2xg5.png|left|200px]]
-<!--
+==E. coli P pilus chaperone-subunit complex PapD-PapH bound to pilus biogenesis inhibitor, pilicide 5d==
-The line below this paragraph, containing "STRUCTURE_2xg5", creates the "Structure Box" on the page.
+<StructureSection load='2xg5' size='340' side='right'caption='[[2xg5]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[2xg5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XG5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XG5 FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</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&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=EC2:(2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN-1-YLMETHYL)-5-OXO-2-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC+ACID'>EC2</scene>, <scene name='pdbligand=EC5:(2R)-2-[5-CYCLOPROPYL-6-(HYDROXYSULFANYL)-4-(NAPHTHALEN-1-YLMETHYL)-2-OXOPYRIDIN-1(2H)-YL]-3-PHENYLPROPANOIC+ACID'>EC5</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PGO:S-1,2-PROPANEDIOL'>PGO</scene></td></tr>
-{{STRUCTURE_2xg5|  PDB=2xg5  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2xg5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xg5 OCA], [https://pdbe.org/2xg5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xg5 RCSB], [https://www.ebi.ac.uk/pdbsum/2xg5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xg5 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/PAPD_ECOLX PAPD_ECOLX] Binds and caps interactive surfaces on pilus subunits to prevent them from participating in non-productive interactions. Facilitates the import of subunits into the periplasm. May facilitate subunit folding. Chaperone-subunit complexes are then targeted to the PapC outer membrane usher where the chaperone must uncap from the subunits.
+== 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/xg/2xg5_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=2xg5 ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Pilicides block pili formation by binding to pilus chaperones and blocking their function in the chaperone/usher pathway in E. coli. Various C-2 substituents were introduced on the pilicide scaffold by design and synthetic method developments. Experimental evaluation showed that proper substitution of this position affected the biological activity of the compound. Aryl substituents resulted in pilicides with significantly increased potencies as measured in pili-dependent biofilm and hemagglutination assays. The structural basis of the PapD chaperone-pilicide interactions was determined by X-ray crystallography.
-===E. COLI P PILUS CHAPERONE-SUBUNIT COMPLEX PAPD-PAPH BOUND TO PILUS BIOGENESIS INHIBITOR, PILICIDE 5D===
+Design and Synthesis of C-2 Substituted Thiazolo and Dihydrothiazolo Ring-Fused 2-Pyridones: Pilicides with Increased Antivirulence Activity.,Chorell E, Pinkner JS, Phan G, Edvinsson S, Buelens F, Remaut H, Waksman G, Hultgren SJ, Almqvist F J Med Chem. 2010 Jun 30. PMID:20586493<ref>PMID:20586493</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 2xg5" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_20586493}}, adds the Publication Abstract to the page
+*[[Pilin 3D structures|Pilin 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 20586493 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_20586493}}
+__TOC__
+</StructureSection>
-==About this Structure==
-XG5 is a 2 chains structure with sequences from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XG5 OCA].
-==Reference==
-<ref group="xtra">PMID:20586493</ref><references group="xtra"/>
 [[Category: Escherichia coli]]
-[[Category: Almqvist, F.]]
+[[Category: Large Structures]]
-[[Category: Buelens, F.]]
+[[Category: Almqvist F]]
-[[Category: Chorell, E.]]
+[[Category: Buelens F]]
-[[Category: Edvinsson, S.]]
+[[Category: Chorell E]]
-[[Category: Hultgren, S J.]]
+[[Category: Edvinsson S]]
-[[Category: Phan, G.]]
+[[Category: Hultgren SJ]]
-[[Category: Pinkner, J S.]]
+[[Category: Phan G]]
-[[Category: Remaut, H.]]
+[[Category: Pinkner JS]]
-[[Category: Waksman, G.]]
+[[Category: Remaut H]]
-[[Category: Chaperone]]
+[[Category: Waksman G]]
-[[Category: Chaperone-surface active protein complex]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Nov  3 11:18:52 2010''