Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89

Summary for 3SXF

Related3I79 3I7B 3I7C 3N51 3NYV 3MWU 3NCG 3SX9 3T3U 3T3V
DescriptorCalmodulin-domain protein kinase 1, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywordsserine/threonine protein kinase, transferase, calcium-binding, atp-binding, calmodulin, ef hand, bumped kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceToxoplasma gondii
Total number of polymer chains1
Total molecular weight55714.53
Larson, E.T.,Merritt, E.A. (deposition date: 2011-07-14, release date: 2012-03-14, Last modification date: 2017-11-08)
Primary citation
Larson, E.T.,Ojo, K.K.,Murphy, R.C.,Johnson, S.M.,Zhang, Z.,Kim, J.E.,Leibly, D.J.,Fox, A.M.,Reid, M.C.,Dale, E.J.,Perera, B.G.,Kim, J.,Hewitt, S.N.,Hol, W.G.,Verlinde, C.L.,Fan, E.,Van Voorhis, W.C.,Maly, D.J.,Merritt, E.A.
Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55:2803-2810, 2012
PubMed: 22369268 (PDB entries with the same primary citation)
DOI: 10.1021/jm201725v
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.239301.8%4.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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