3UPX

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300

Summary for 3UPX

Related3UPZ 3UQF 3UQG 3V51 3V5P 3V5T
DescriptorCalmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone (3 entities in total)
Functional Keywordsserine/threonine protein kinase, transferase, calcium-binding, atp-binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceToxoplasma gondii
Total number of polymer chains1
Total molecular weight55561.33
Authors
Merritt, E.A.,Larson, E.T. (deposition date: 2011-11-18, release date: 2012-03-14, Last modification date: 2012-04-18)
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
X-RAY DIFFRACTION (2.27 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.273301.1%4.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3upx
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Molmil generated image of 3upx
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Molmil generated image of 3upx
rotated about y axis by 90°