4JOA

Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor

Summary for 4JOA

Entry DOI	10.2210/pdb4joa/pdb
Descriptor	ALK tyrosine kinase receptor, 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (3 entities in total)
Functional Keywords	anaplastic lymphoma kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cell membrane; Single-pass type I membrane protein: Q9UM73
Total number of polymer chains	1
Total formula weight	39031.71
Authors	Hosahalli, S.,Krishnamurthy, N.R.,Lakshminarasimhan, A. (deposition date: 2013-03-18, release date: 2013-07-17, Last modification date: 2023-11-08)
Primary citation	Gummadi, V.R.,Rajagopalan, S.,Looi, C.Y.,Paydar, M.,Renukappa, G.A.,Ainan, B.R.,Krishnamurthy, N.R.,Panigrahi, S.K.,Mahasweta, K.,Raghuramachandran, S.,Rajappa, M.,Ramanathan, A.,Lakshminarasimhan, A.,Ramachandra, M.,Wong, P.F.,Mustafa, M.R.,Nanduri, S.,Hosahalli, S. Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode Bioorg.Med.Chem.Lett., 23:4911-4918, 2013 Cited by PubMed: 23880539 DOI: 10.1016/j.bmcl.2013.06.071 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation