2025-02-22_00000437
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ligand
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9I12
Human protein kinase CK2 alpha in complex with TN17;
X-ray diffraction 2.00Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
GPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKD
Canonical Sequence ...
GPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKD
Non polymer #2
A1IYX
InChI=1S/C18H16N2O4S/c1-23-13-6-4-12(5-7-13)19-18-20-17(22)16(25-18)10-11-3-8-15(24-2)14(21)9-11/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
InChI=1S/C18H16N2O4S/c1-23-13-6-4-12(5-7-13)19-18-20-17(22)16(25-18)10-11-3-8-15(24-2)14(21)9-11/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
SMILES: COc1ccc(cc1)/N=C2/NC(=O)/C(=C/c3ccc(c(c3)O)OC)/S2
COc1ccc(cc1)/N=C2/NC(=O)/C(=C/c3ccc(c(c3)O)OC)/S2
Biounit #1
monomer
Download coordinates
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Model
Reference
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