4WG3

Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610

Summary for 4WG3

Related4WG5
DescriptorCalmodulin-domain protein kinase 1, 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (3 entities in total)
Functional Keywordsserine/threonine protein kinase, transferase, calcium-binding, atp-binding, bumped kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceToxoplasma gondii
Total number of polymer chains1
Total molecular weight55588.35
Authors
Merritt, E.A. (deposition date: 2014-09-17, release date: 2014-10-15, Last modification date: 2017-09-27)
Primary citation
Merritt, E.A.
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published,
Experimental method
X-RAY DIFFRACTION (2.2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23360.2%2.7%2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4wg3
no rotation
Molmil generated image of 4wg3
rotated about x axis by 90°
Molmil generated image of 4wg3
rotated about y axis by 90°