Pim-1 kinase in complex with a 7-azaindole

Summary for 5TUR

DescriptorSerine/threonine-protein kinase pim-1, 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (3 entities in total)
Functional Keywordskinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationIsoform 2: Cytoplasm. Isoform 1: Cell membrane P11309
Total number of polymer chains1
Total molecular weight45796.72
Mechin, I.,Zhang, Y.,Wang, R.,Batchelor, J.D.,Mclean, L. (deposition date: 2016-11-07, release date: 2017-10-11)
Primary citation
Barberis, C.,Moorcroft, N.,Arendt, C.,Levit, M.,Moreno-Mazza, S.,Batchelor, J.,Mechin, I.,Majid, T.
Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27:4730-4734, 2017
PubMed: 28947155 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2017.08.069
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.247301.2%3.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution