3KRR

Crystal Structure of JAK2 complexed with a potent quinoxaline ATP site inhibitor

Summary for 3KRR

Entry DOI	10.2210/pdb3krr/pdb
Descriptor	Tyrosine-protein kinase JAK2, 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline (3 entities in total)
Functional Keywords	small molecule inhibitor, atp site kinase inhibitor, atp-binding, disease mutation, kinase, membrane, nucleotide-binding, phosphoprotein, proto-oncogene, sh2 domain, transferase, tyrosine-protein kinase
Biological source	Homo sapiens (human)
Cellular location	Endomembrane system; Peripheral membrane protein (By similarity): O60674
Total number of polymer chains	1
Total formula weight	35213.03
Authors	Tavares, G.A.,Gerspacher, M.,Kroemer, M.,Scheufler, C. (deposition date: 2009-11-19, release date: 2010-07-21, Last modification date: 2011-07-13)
Primary citation	Baffert, F.,Regnier, C.H.,De Pover, A.,Pissot-Soldermann, C.,Tavares, G.A.,Blasco, F.,Brueggen, J.,Chene, P.,Drueckes, P.,Erdmann, D.,Furet, P.,Gerspacher, M.,Lang, M.,Ledieu, D.,Nolan, L.,Ruetz, S.,Trappe, J.,Vangrevelinghe, E.,Wartmann, M.,Wyder, L.,Hofmann, F.,Radimerski, T. Potent and Selective Inhibition of Polycythemia by the Quinoxaline JAK2 Inhibitor NVP-BSK805 Mol.Cancer Ther., 9:1945-1955, 2010 Cited by PubMed: 20587663 DOI: 10.1158/1535-7163.MCT-10-0053 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation