2026-01-10_00000010
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ligand
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7I86
Crystal Structure of 23 bound to CK2a;
X-ray diffraction 1.32Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1B0D
InChI=1S/C32H29ClN6O2/c33-28-17-21(7-9-24(28)22-5-2-1-3-6-22)19-35-16-12-30(40)37-13-4-14-38-32-26-11-15-36-20-27(26)25-10-8-23(31(34)41)18-29(25)39-32/h1-3,5-11,13,15,17-18,20,35H,4,12,14,16,19H2,(H2,34,41)(H,38,39)/b37-13+
InChI=1S/C32H29ClN6O2/c33-28-17-21(7-9-24(28)22-5-2-1-3-6-22)19-35-16-12-30(40)37-13-4-14-38-32-26-11-15-36-20-27(26)25-10-8-23(31(34)41)18-29(25)39-32/h1-3,5-11,13,15,17-18,20,35H,4,12,14,16,19H2,(H2,34,41)(H,38,39)/b37-13+
SMILES: c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)/N=C/CCNc3c4ccncc4c5ccc(cc5n3)C(=O)N
c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)/N=C/CCNc3c4ccncc4c5ccc(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
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Model
Reference
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