2026-01-10_00000002
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ligand
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7I7Y
Crystal Structure of 30 bound to CK2a;
X-ray diffraction 1.15Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1BZS
InChI=1S/C32H33ClN6O/c33-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-36-14-5-4-13-35-16-17-38-32-27-12-15-37-21-28(27)26-11-9-24(31(34)40)19-30(26)39-32/h1-3,6-12,15,18-19,21,35-36H,4-5,13-14,16-17,20H2,(H2,34,40)(H,38,39)
InChI=1S/C32H33ClN6O/c33-29-18-22(8-10-25(29)23-6-2-1-3-7-23)20-36-14-5-4-13-35-16-17-38-32-27-12-15-37-21-28(27)26-11-9-24(31(34)40)19-30(26)39-32/h1-3,6-12,15,18-19,21,35-36H,4-5,13-14,16-17,20H2,(H2,34,40)(H,38,39)
SMILES: c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)N
c1ccc(cc1)c2ccc(cc2Cl)CNCCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)N
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Biounit #1
monomer
Download coordinates
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Model
Reference
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