2026-04-11_00000164
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ligand
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9QST
Protein Kinase CK2 and bivalent inhibitors;
X-ray diffraction 2.70Å
Protein #1
359 residues (92% resolved)
Raw Sequence ...
MHHHHHHSSGVDLGTENLYFQSMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS
Canonical Sequence ...
MHHHHHHSSGVDLGTENLYFQSMSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSS
Non polymer #2
A1I91
InChI=1S/C33H32ClN5O3/c34-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-35-17-13-31(40)37-14-4-5-15-38-32-27-12-16-36-21-28(27)26-11-9-24(33(41)42)19-30(26)39-32/h1-3,6-12,16,18-19,21,35H,4-5,13-15,17,20H2,(H,37,40)(H,38,39)(H,41,42)
InChI=1S/C33H32ClN5O3/c34-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-35-17-13-31(40)37-14-4-5-15-38-32-27-12-16-36-21-28(27)26-11-9-24(33(41)42)19-30(26)39-32/h1-3,6-12,16,18-19,21,35H,4-5,13-15,17,20H2,(H,37,40)(H,38,39)(H,41,42)
SMILES: c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O
c1ccc(cc1)c2ccc(cc2Cl)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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