3g0c: Difference between revisions

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-[[Image:3g0c.png|left|200px]]
-<!--
+==Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1==
-The line below this paragraph, containing "STRUCTURE_3g0c", creates the "Structure Box" on the page.
+<StructureSection load='3g0c' size='340' side='right'caption='[[3g0c]], [[Resolution|resolution]] 2.69&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'>[[3g0c]] is a 4 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=3G0C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G0C 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]] 2.69&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=RUF:7-(2-CHLOROBENZYL)-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE'>RUF</scene></td></tr>
-{{STRUCTURE_3g0c|  PDB=3g0c  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3g0c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g0c OCA], [https://pdbe.org/3g0c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g0c RCSB], [https://www.ebi.ac.uk/pdbsum/3g0c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g0c ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/DPP4_HUMAN DPP4_HUMAN] Cell surface glycoprotein receptor involved in the costimulatory signal essential for T-cell receptor (TCR)-mediated T-cell activation. Acts as a positive regulator of T-cell coactivation, by binding at least ADA, CAV1, IGF2R, and PTPRC. Its binding to CAV1 and CARD11 induces T-cell proliferation and NF-kappa-B activation in a T-cell receptor/CD3-dependent manner. Its interaction with ADA also regulates lymphocyte-epithelial cell adhesion. In association with FAP is involved in the pericellular proteolysis of the extracellular matrix (ECM), the migration and invasion of endothelial cells into the ECM. May be involved in the promotion of lymphatic endothelial cells adhesion, migration and tube formation. When overexpressed, enhanced cell proliferation, a process inhibited by GPC3. Acts also as a serine exopeptidase with a dipeptidyl peptidase activity that regulates various physiological processes by cleaving peptides in the circulation, including many chemokines, mitogenic growth factors, neuropeptides and peptide hormones. Removes N-terminal dipeptides sequentially from polypeptides having unsubstituted N-termini provided that the penultimate residue is proline.<ref>PMID:10951221</ref> <ref>PMID:17549790</ref> <ref>PMID:10570924</ref> <ref>PMID:10900005</ref> <ref>PMID:11772392</ref> <ref>PMID:14691230</ref> <ref>PMID:16651416</ref> <ref>PMID:17287217</ref> <ref>PMID:18708048</ref>
+== 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/g0/3g0c_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=3g0c ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The discovery of two classes of heterocyclic dipeptidyl peptidase IV (DPP-4) inhibitors, pyrimidinones and pyrimidinediones, is described. After a single oral dose, these potent, selective, and noncovalent inhibitors provide sustained reduction of plasma DPP-4 activity and lowering of blood glucose in animal models of diabetes. Compounds 13a, 27b, and 27j were selected for development.
-===Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1===
+Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.,Zhang Z, Wallace MB, Feng J, Stafford JA, Skene RJ, Shi L, Lee B, Aertgeerts K, Jennings A, Xu R, Kassel DB, Kaldor SW, Navre M, Webb DR, Gwaltney SL J Med Chem. 2010 Dec 27. PMID:21186796<ref>PMID:21186796</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 3g0c" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_21186796}}, adds the Publication Abstract to the page
+*[[Dipeptidyl peptidase 3D structures|Dipeptidyl peptidase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 21186796 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_21186796}}
+__TOC__
+</StructureSection>
-==About this Structure==
-[[3g0c]] is a 4 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=3G0C OCA].
-==Reference==
-<ref group="xtra">PMID:21186796</ref><references group="xtra"/>
-[[Category: Dipeptidyl-peptidase IV]]
 [[Category: Homo sapiens]]
-[[Category: Aertgeerts, K.]]
+[[Category: Large Structures]]
-[[Category: Feng, J.]]
+[[Category: Aertgeerts K]]
-[[Category: Gwaltney, S L.]]
+[[Category: Feng J]]
-[[Category: Jennings, A.]]
+[[Category: Gwaltney SL]]
-[[Category: Kaldor, S W.]]
+[[Category: Jennings A]]
-[[Category: Kassel, D.]]
+[[Category: Kaldor SW]]
-[[Category: Lee, B.]]
+[[Category: Kassel D]]
-[[Category: Shi, L.]]
+[[Category: Lee B]]
-[[Category: Skene, R J.]]
+[[Category: Shi L]]
-[[Category: Stafford, J A.]]
+[[Category: Skene RJ]]
-[[Category: Wallace, M B.]]
+[[Category: Stafford JA]]
-[[Category: Webb, D R.]]
+[[Category: Wallace MB]]
-[[Category: Xu, R.]]
+[[Category: Webb DR]]
-[[Category: Zhang, Z.]]
+[[Category: Xu R]]
+[[Category: Zhang Z]]