2025-07-26_00000305
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ligand
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9QRI
Protein Kinase CK2 and bivalent inhibitors;
X-ray diffraction 2.35Å
Protein #1
359 residues (92% resolved)
Raw Sequence ...
MHHHHHHSSGVDLGTENLYFQSMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS
Canonical Sequence ...
MHHHHHHSSGVDLGTENLYFQSMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS
Non polymer #2
A1I9N
InChI=1S/C29H29Cl2N5O4/c30-23-6-3-18(15-24(23)31)9-14-34-27(38)8-7-26(37)33-11-1-2-12-35-28-21-10-13-32-17-22(21)20-5-4-19(29(39)40)16-25(20)36-28/h3-6,10,13,15-17H,1-2,7-9,11-12,14H2,(H,33,37)(H,34,38)(H,35,36)(H,39,40)
InChI=1S/C29H29Cl2N5O4/c30-23-6-3-18(15-24(23)31)9-14-34-27(38)8-7-26(37)33-11-1-2-12-35-28-21-10-13-32-17-22(21)20-5-4-19(29(39)40)16-25(20)36-28/h3-6,10,13,15-17H,1-2,7-9,11-12,14H2,(H,33,37)(H,34,38)(H,35,36)(H,39,40)
SMILES: c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCNc2c3ccncc3c4ccc(cc4n2)C(=O)O)Cl)Cl
c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCNc2c3ccncc3c4ccc(cc4n2)C(=O)O)Cl)Cl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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