2026-06-06_00000011|ligand|11UC

Crystal structure of Casein Kinase 2 (CK2) alpha in complex with BMS-595; X-ray diffraction 1.96Å
Protein #1 335 residues (99% resolved)

MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMG

MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMG
Non polymer #2 A1DAS

InChI=1S/C23H26ClN9O2/c1-31-5-7-32(8-6-31)19-10-15(28-23(34)35-2)9-17(21(19)24)29-20-11-18(27-14-3-4-14)22-26-13-16(12-25)33(22)30-20/h9-11,13-14,27H,3-8H2,1-2H3,(H,28,34)(H,29,30)

CN1CCN(CC1)c2cc(cc(c2Cl)Nc3cc(c4ncc(n4n3)C#N)NC5CC5)NC(=O)OC
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 MN

InChI=1S/Mn/q+2

[Mn+2]
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Reference