4A7C

Crystal structure of PIM1 kinase with ETP46546

Summary for 4A7C

Related2BIK 2XIX 1YWV 2BZJ 2C3I 1YXU 2J2I 1YXT 2BZH 1YXS 1XQZ 1YI3 2XIZ 1YXV 1XR1 2XIY 2BIL 1YHS 1YXX 1XWS 2XJ1 2BZK 2XJ0 2XJ2 1YI4 2BZI
DescriptorPROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine, IMIDAZOLE, ... (5 entities in total)
Functional Keywordstransferase, protein kinase, inhibitor
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationIsoform 2: Cytoplasm. Isoform 1: Cell membrane P11309
Total number of polymer chains1
Total molecular weight35965.58
Authors
Mazzorana, M.,Montoya, G. (deposition date: 2011-11-12, release date: 2012-02-15, Last modification date: 2015-01-14)
Primary citation
Pastor, J.,Oyarzabal, J.,Saluste, G.,Alvarez, R.M.,Rivero, V.,Ramos, F.,Cendon, E.,Blanco-Aparicio, C.,Ajenjo, N.,Cebria, A.,Albarran, M.I.,Cebrian, D.,Corrionero, A.,Fominaya, J.,Montoya, G.,Mazzorana, M.
Hit to Lead Evaluation of 1,2,3-Triazolo[4,5-B]Pyridines as Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22:1591-, 2012
PubMed: 22266039 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMCL.2011.12.130
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.202702.9%0.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report