Crystal structure of human Pim-1 in complex with DAPPA

Summary for 3F2A

DescriptorProto-oncogene serine/threonine-protein kinase Pim-1, (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, MAGNESIUM ION, ... (4 entities in total)
Functional Keywordspotein kinase fold, alternative initiation, atp-binding, cell membrane, cytoplasm, kinase, manganese, membrane, metal-binding, nucleotide-binding, nucleus, phosphoprotein, polymorphism, proto-oncogene, serine/threonine-protein kinase, transferase
Biological sourceHomo sapiens (human)
Cellular locationIsoform 2: Cytoplasm. Isoform 1: Cell membrane P11309
Total number of polymer chains1
Total molecular weight34694.59
Qian, K. (deposition date: 2008-10-29, release date: 2009-03-10, Last modification date: 2011-07-13)
Primary citation
Qian, K.,Wang, L.,Cywin, C.L.,Farmer, B.T.,Hickey, E.,Homon, C.,Jakes, S.,Kashem, M.A.,Lee, G.,Leonard, S.,Li, J.,Magboo, R.,Mao, W.,Pack, E.,Peng, C.,Prokopowicz, A.,Welzel, M.,Wolak, J.,Morwick, T.
Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode.
J.Med.Chem., 52:1814-1827, 2009
PubMed: 19256503 (PDB entries with the same primary citation)
DOI: 10.1021/jm801242y
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.27618 0.7% 6.9% 4.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21