5UT5

JAK2 JH2 in complex with GLPG0634

Summary for 5UT5

Entry DOI	10.2210/pdb5ut5/pdb
Related	5USY 5USZ 5UT0 5UT1 5UT2 5UT3 5UT4 5UT6
Descriptor	Tyrosine-protein kinase JAK2, GLYCEROL, N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide, ... (6 entities in total)
Functional Keywords	pseudokinase domain, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	34052.02
Authors	Puleo, D.E.,Schlessinger, J. (deposition date: 2017-02-14, release date: 2017-06-07, Last modification date: 2023-10-04)
Primary citation	Newton, A.S.,Deiana, L.,Puleo, D.E.,Cisneros, J.A.,Cutrona, K.J.,Schlessinger, J.,Jorgensen, W.L. JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules. ACS Med Chem Lett, 8:614-617, 2017 Cited by PubMed Abstract: A competitive fluorescence polarization (FP) assay is reported for determining binding affinities of probe molecules with the pseudokinase JAK2 JH2 allosteric site. The syntheses of the fluorescent and used in the assay are reported as well as results for 10 compounds, including JNJ7706621, NVP-BSK805, and filgotinib (GLPG0634). X-ray crystal structures of JAK2 JH2 in complex with NVP-BSK805, filgotinib, and diaminopyrimidine elucidate the binding poses. PubMed: 28626520 DOI: 10.1021/acsmedchemlett.7b00154 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation