Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.

Summary for 4WRS

DescriptorSerine/threonine-protein kinase pim-1, GLYCEROL, 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, ... (4 entities in total)
Functional Keywordstransferase, serine/threonine protein kinase, 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 weight33682.06
Mohr, C. (deposition date: 2014-10-25, release date: 2015-02-04, Last modification date: 2015-02-11)
Primary citation
Wang, H.L.,Cee, V.J.,Chavez, F.,Lanman, B.A.,Reed, A.B.,Wu, B.,Guerrero, N.,Lipford, J.R.,Sastri, C.,Winston, J.,Andrews, K.L.,Huang, X.,Lee, M.R.,Mohr, C.,Xu, Y.,Zhou, Y.,Tasker, A.S.
The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25:834-840, 2015
PubMed: 25597005 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2014.12.068
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20920 0.8% 6.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-12-02