2025-07-26_00000310
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ligand
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9QSU
Protein Kinase CK2 and bivalent inhibitors;
X-ray diffraction 2.73Å
Protein #1
359 residues (92% resolved)
Raw Sequence ...
MHHHHHHSSGVDLGTENLYFQSMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS
Canonical Sequence ...
MHHHHHHSSGVDLGTENLYFQSMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS
Non polymer #2
A1I92
InChI=1S/C34H35N5O4/c1-43-31-7-3-2-6-26(31)24-10-8-23(9-11-24)21-35-19-15-32(40)37-16-4-5-17-38-33-28-14-18-36-22-29(28)27-13-12-25(34(41)42)20-30(27)39-33/h2-3,6-14,18,20,22,35H,4-5,15-17,19,21H2,1H3,(H,37,40)(H,38,39)(H,41,42)
InChI=1S/C34H35N5O4/c1-43-31-7-3-2-6-26(31)24-10-8-23(9-11-24)21-35-19-15-32(40)37-16-4-5-17-38-33-28-14-18-36-22-29(28)27-13-12-25(34(41)42)20-30(27)39-33/h2-3,6-14,18,20,22,35H,4-5,15-17,19,21H2,1H3,(H,37,40)(H,38,39)(H,41,42)
SMILES: COc1ccccc1c2ccc(cc2)CNCCC(=O)NCCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O
COc1ccccc1c2ccc(cc2)CNCCC(=O)NCCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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