Crystal structure of PIM1 in complex with a Pyrrolo(1,2-a)Pyrazinone inhibitor

Summary for 4BZN

DescriptorSERINE/THREONINE-PROTEIN KINASE PIM-1, N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide (3 entities in total)
Functional Keywordspim1, atp binding, kinase inhibitor, transferase
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationIsoform 2: Cytoplasm. Isoform 1: Cell membrane P11309
Total number of polymer chains1
Total molecular weight36181.15
Primary citation
Casuscelli, F.,Ardini, E.,Avanzi, N.,Casale, E.,Cervi, G.,D'Anello, M.,Donati, D.,Faiardi, D.,Ferguson, R.D.,Fogliatto, G.,Galvani, A.,Marsiglio, A.,Mirizzi, D.G.,Montemartini, M.,Orrenius, C.,Papeo, G.,Piutti, C.,Salom, B.,Felder, E.R.
Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Bioorg.Med.Chem., 21:7364-, 2013
PubMed: 24139169 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMC.2013.09.054
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.196500.8%6.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution