4daw: Difference between revisions

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-[[Image:4daw.png|left|200px]]
-<!--
+==Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex==
-The line below this paragraph, containing "STRUCTURE_4daw", creates the "Structure Box" on the page.
+<StructureSection load='4daw' size='340' side='right'caption='[[4daw]], [[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'>[[4daw]] is a 1 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=4DAW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DAW 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=0H2:[1,3-DIOXO-6-(PYRIDIN-2-YL-KAPPAN)-2,3-DIHYDRO-1H-ISOINDOL-5-YL-KAPPAC~5~][(THIOXOMETHYLIDENE)AZANIDO-KAPPAN](1,4,7-TRITHIONANE-KAPPA~3~S~1~,S~4~,S~7~)RUTHENIUM'>0H2</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
-{{STRUCTURE_4daw|  PDB=4daw  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4daw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4daw OCA], [https://pdbe.org/4daw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4daw RCSB], [https://www.ebi.ac.uk/pdbsum/4daw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4daw ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/PAK1_HUMAN PAK1_HUMAN] Protein kinase involved in intracellular signaling pathways downstream of integrins and receptor-type kinases that plays an important role in cytoskeleton dynamics, in cell adhesion, migration, proliferation, apoptosis, mitosis, and in vesicle-mediated transport processes. Can directly phosphorylate BAD and protects cells against apoptosis. Activated by interaction with CDC42 and RAC1. Functions as GTPase effector that links the Rho-related GTPases CDC42 and RAC1 to the JNK MAP kinase pathway. Phosphorylates and activates MAP2K1, and thereby mediates activation of downstream MAP kinases. Involved in the reorganization of the actin cytoskeleton, actin stress fibers and of focal adhesion complexes. Phosphorylates the tubulin chaperone TBCB and thereby plays a role in the regulation of microtubule biogenesis and organization of the tubulin cytoskeleton. Plays a role in the regulation of insulin secretion in response to elevated glucose levels. Part of a ternary complex that contains PAK1, DVL1 and MUSK that is important for MUSK-dependent regulation of AChR clustering during the formation of the neuromuscular junction (NMJ). Activity is inhibited in cells undergoing apoptosis, potentially due to binding of CDC2L1 and CDC2L2. Phosphorylates MYL9/MLC2. Phosphorylates RAF1 at 'Ser-338' and 'Ser-339' resulting in: activation of RAF1, stimulation of RAF1 translocation to mitochondria, phosphorylation of BAD by RAF1, and RAF1 binding to BCL2.<ref>PMID:8805275</ref> <ref>PMID:9395435</ref> <ref>PMID:9032240</ref> <ref>PMID:9528787</ref> <ref>PMID:10551809</ref> <ref>PMID:11733498</ref> <ref>PMID:12624090</ref> <ref>PMID:12876277</ref> <ref>PMID:14585966</ref> <ref>PMID:15611088</ref> <ref>PMID:15831477</ref> <ref>PMID:16278681</ref> <ref>PMID:17726028</ref> <ref>PMID:17989089</ref> <ref>PMID:22669945</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Better fit, less effort: An easy-to-synthesize ruthenium phthalimide complex (tan-colored carbon atoms in the picture) was designed to bind within the active site of the p21-activated kinase 1 in a novel fashion that differs from that of the previously established staurosporine-inspired metallopyridocarbazoles (gray-colored carbon atoms).
-===Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex===
+The Art of Filling Protein Pockets Efficiently with Octahedral Metal Complexes.,Blanck S, Maksimoska J, Baumeister J, Harms K, Marmorstein R, Meggers E Angew Chem Int Ed Engl. 2012 Mar 1. doi: 10.1002/anie.201108865. PMID:22383326<ref>PMID:22383326</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 4daw" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_22383326}}, adds the Publication Abstract to the page
+*[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 22383326 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_22383326}}
+__TOC__
+</StructureSection>
-==About this Structure==
-[[4daw]] is a 1 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=4DAW OCA].
-==Reference==
-<ref group="xtra">PMID:022383326</ref><references group="xtra"/>
 [[Category: Homo sapiens]]
-[[Category: Non-specific serine/threonine protein kinase]]
+[[Category: Large Structures]]
-[[Category: Maksimoska, J.]]
+[[Category: Maksimoska J]]
-[[Category: Marmorstein, R.]]
+[[Category: Marmorstein R]]
-[[Category: Atp-binding]]
-[[Category: Phosphorylation]]
-[[Category: Serine/threonine kinase]]
-[[Category: Transferase-transferase inhibitor complex]]