2026-01-10_00000005
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ligand
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7I81
Crystal Structure of 22 bound to CK2a;
X-ray diffraction 2.33Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1BZ1
InChI=1S/C32H30ClN5O3/c33-28-17-21(7-9-24(28)22-5-2-1-3-6-22)19-34-16-12-30(39)36-13-4-14-37-31-26-11-15-35-20-27(26)25-10-8-23(32(40)41)18-29(25)38-31/h1-3,5-11,15,17-18,20,34H,4,12-14,16,19H2,(H,36,39)(H,37,38)(H,40,41)
InChI=1S/C32H30ClN5O3/c33-28-17-21(7-9-24(28)22-5-2-1-3-6-22)19-34-16-12-30(39)36-13-4-14-37-31-26-11-15-35-20-27(26)25-10-8-23(32(40)41)18-29(25)38-31/h1-3,5-11,15,17-18,20,34H,4,12-14,16,19H2,(H,36,39)(H,37,38)(H,40,41)
SMILES: c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O
c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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