3IDP

B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor

Summary for 3IDP

Entry DOI	10.2210/pdb3idp/pdb
Descriptor	B-Raf proto-oncogene serine/threonine-protein kinase, N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine (3 entities in total)
Functional Keywords	oncogene, atp-binding, dfg-out, transferase, cardiomyopathy, disease mutation, kinase, metal-binding, nucleotide-binding, phorbol-ester binding, phosphoprotein, proto-oncogene, serine/threonine-protein kinase, zinc-finger
Biological source	Homo sapiens (human)
Cellular location	Nucleus (By similarity): P15056
Total number of polymer chains	2
Total formula weight	69985.57
Authors	Whittington, D.A.,Epstein, L.F. (deposition date: 2009-07-21, release date: 2009-10-06, Last modification date: 2023-09-06)
Primary citation	Smith, A.L.,Demorin, F.F.,Paras, N.A.,Huang, Q.,Petkus, J.K.,Doherty, E.M.,Nixey, T.,Kim, J.L.,Whittington, D.A.,Epstein, L.F.,Lee, M.R.,Rose, M.J.,Babij, C.,Fernando, M.,Hess, K.,Le, Q.,Beltran, P.,Carnahan, J. Selective inhibitors of the mutant B-raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline. J.Med.Chem., 52:6189-6192, 2009 Cited by PubMed: 19764794 DOI: 10.1021/jm901081g PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation