2026-03-28_00000077|ligand|9NTZ

Crystal structure of calcium-dependent protein kinase 1 (CDPK1) from Cryptosporidium parvum in complex with inhibitor BKI-1932.; X-ray diffraction 1.84Å
Protein #1 492 residues (91% resolved)

MGSSHHHHHHSSGRENLYFQGHMGTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTILREVELLKKLDHPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQNTKMKDRIGTAYYIAPEVLRGTYDEKCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSETPTISDLPSLESAMTNIRQFQAEKKLAQAALLYMASKLTTLDETKQLTEIFRKLDTNNDGMLDRDELVRGYHEFMRLKGVDSNSLIQNEGSTIEDQIDSLMPLLDMDGSGSIEYSEFIASAIDRTILLSRERMERAFKMFDKDGSGKISTKELFKLFSQADSSIQMEELESIIEQVDNNKDGEVDFNEFVEMLQNFVRNE

MGSSHHHHHHSSGRENLYFQGHMGTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTILREVELLKKLDHPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQNTKMKDRIGTAYYIAPEVLRGTYDEKCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSETPTISDLPSLESAMTNIRQFQAEKKLAQAALLYMASKLTTLDETKQLTEIFRKLDTNNDGMLDRDELVRGYHEFMRLKGVDSNSLIQNEGSTIEDQIDSLMPLLDMDGSGSIEYSEFIASAIDRTILLSRERMERAFKMFDKDGSGKISTKELFKLFSQADSSIQMEELESIIEQVDNNKDGEVDFNEFVEMLQNFVRNE
Non polymer #2 A1B1S

InChI=1S/C20H21N5O4/c1-4-28-14-8-6-11-9-12(5-7-13(11)22-14)16-15(17(21)26)18-23-19(27)29-10-20(2,3)25(18)24-16/h5-9H,4,10H2,1-3H3,(H2,21,26)(H,23,27)

CCOc1ccc2cc(ccc2n1)c3c(c4n(n3)C(COC(=O)N4)(C)C)C(=O)N
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #4 TLA

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1

[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
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Reference