3s8o: Difference between revisions

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-[[Image:3s8o.jpg|left|200px]]
-<!--
+==Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide==
-The line below this paragraph, containing "STRUCTURE_3s8o", creates the "Structure Box" on the page.
+<StructureSection load='3s8o' size='340' side='right'caption='[[3s8o]], [[Resolution|resolution]] 1.85&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'>[[3s8o]] 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=3S8O OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3S8O 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]] 1.85&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=02K:1-AMINOCYCLOHEXANECARBOXYLIC+ACID'>02K</scene>, <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr>
-{{STRUCTURE_3s8o|  PDB=3s8o  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3s8o FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3s8o OCA], [https://pdbe.org/3s8o PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3s8o RCSB], [https://www.ebi.ac.uk/pdbsum/3s8o PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3s8o ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/GRB2_HUMAN GRB2_HUMAN] Adapter protein that provides a critical link between cell surface growth factor receptors and the Ras signaling pathway.<ref>PMID:1322798</ref> <ref>PMID:8178156</ref> <ref>PMID:19815557</ref>   Isoform 2 does not bind to phosphorylated epidermal growth factor receptor (EGFR) but inhibits EGF-induced transactivation of a RAS-responsive element. Isoform 2 acts as a dominant negative protein over GRB2 and by suppressing proliferative signals, may trigger active programmed cell death.<ref>PMID:1322798</ref> <ref>PMID:8178156</ref> <ref>PMID:19815557</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Thermodynamic parameters were determined for complex formation between the Grb2 SH2 domain and Ac-pTyr-Xaa-Asn derived tripeptides in which the Xaa residue is an alpha,alpha-cycloaliphatic amino acid that varies in ring size from three- to seven-membered. Although the six- and seven-membered ring analogs are approximately equipotent, binding affinities of those having three- to six-membered rings increase incrementally with ring size because increasingly more favorable binding enthalpies dominate increasingly less favorable binding entropies, a finding consistent with an enthalpy-driven hydrophobic effect. Crystallographic analysis reveals that the only significant differences in structures of the complexes are in the number of van der Waals contacts between the domain and the methylene groups in the Xaa residues. There is a positive correlation between buried nonpolar surface area and binding free energy and enthalpy, but not with DeltaC(p). Displacing a water molecule from a protein-ligand interface is not necessarily reflected in a favorable change in binding entropy. These findings highlight some of the fallibilities associated with commonly held views of relationships of structure and energetics in protein-ligand interactions and have significant implications for ligand design.
-===Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide===
+Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Nonpolar Surface Area.,Myslinski JM, Delorbe JE, Clements JH, Martin SF J Am Chem Soc. 2011 Oct 27. PMID:22007755<ref>PMID:22007755</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 3s8o" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_22007755}}, adds the Publication Abstract to the page
+*[[Growth factor receptor-bound proteins 3D structures|Growth factor receptor-bound proteins 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 22007755 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_22007755}}
+__TOC__
+</StructureSection>
-==About this Structure==
-[[3s8o]] 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=3S8O OCA].
-==Reference==
-<ref group="xtra">PMID:022007755</ref><references group="xtra"/>
 [[Category: Homo sapiens]]
-[[Category: Clements, J H.]]
+[[Category: Large Structures]]
-[[Category: Stephen, F M.]]
+[[Category: Clements JH]]
-[[Category: Grb2 sh2 domain]]
+[[Category: Stephen FM]]
-[[Category: Phosphotyrosine-containing tripeptide]]
-[[Category: Signaling protein-antagonist complex]]