5khx: Difference between revisions
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New page: '''Unreleased structure''' The entry 5khx is ON HOLD Authors: Han, S., Caspers, N.L. Description: Crystal structure of JAK1 in complex with PF-4950736 [[Category: Unreleased Structures... |
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==Crystal structure of JAK1 in complex with PF-4950736== | |||
<StructureSection load='5khx' size='340' side='right'caption='[[5khx]], [[Resolution|resolution]] 2.40Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5khx]] 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=5KHX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5KHX FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6TE:~{N}-[3-[METHYL(7~{H}-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]CYCLOBUTYL]METHANESULFONAMIDE'>6TE</scene>, <scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5khx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5khx OCA], [https://pdbe.org/5khx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5khx RCSB], [https://www.ebi.ac.uk/pdbsum/5khx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5khx ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/JAK1_HUMAN JAK1_HUMAN] Tyrosine kinase of the non-receptor type, involved in the IFN-alpha/beta/gamma signal pathway. Kinase partner for the interleukin (IL)-2 receptor. | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Crystals of phosphorylated JAK1 kinase domain were initially generated in complex with nucleotide (ADP) and magnesium. The tightly bound Mg(2+)-ADP at the ATP-binding site proved recalcitrant to ligand displacement. Addition of a molar excess of EDTA helped to dislodge the divalent metal ion, promoting the release of ADP and allowing facile exchange with ATP-competitive small-molecule ligands. Many kinases require the presence of a stabilizing ligand in the ATP site for crystallization. This procedure could be useful for developing co-crystallization systems with an exchangeable ligand to enable structure-based drug design of other protein kinases. | |||
Development of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system.,Caspers NL, Han S, Rajamohan F, Hoth LR, Geoghegan KF, Subashi TA, Vazquez ML, Kaila N, Cronin CN, Johnson E, Kurumbail RG Acta Crystallogr F Struct Biol Commun. 2016 Nov 1;72(Pt 11):840-845. doi:, 10.1107/S2053230X16016356. Epub 2016 Oct 27. PMID:27827355<ref>PMID:27827355</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Caspers | <div class="pdbe-citations 5khx" style="background-color:#fffaf0;"></div> | ||
[[Category: Han | |||
==See Also== | |||
*[[Janus kinase 3D structures|Janus kinase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Homo sapiens]] | |||
[[Category: Large Structures]] | |||
[[Category: Caspers NL]] | |||
[[Category: Han S]] | |||
