2026-01-10_00000024
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ligand
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7I8K
Crystal Structure of 61f bound to CK2a;
X-ray diffraction 1.38Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1BZ3
InChI=1S/C27H24F5N3O5/c28-21-11-16(12-22(29)24(21)40-27(30,31)32)14-33-6-1-2-8-38-9-10-39-25-19-5-7-34-15-20(19)18-4-3-17(26(36)37)13-23(18)35-25/h3-5,7,11-13,15,33H,1-2,6,8-10,14H2,(H,36,37)
InChI=1S/C27H24F5N3O5/c28-21-11-16(12-22(29)24(21)40-27(30,31)32)14-33-6-1-2-8-38-9-10-39-25-19-5-7-34-15-20(19)18-4-3-17(26(36)37)13-23(18)35-25/h3-5,7,11-13,15,33H,1-2,6,8-10,14H2,(H,36,37)
SMILES: c1cc2c(cc1C(=O)O)nc(c3c2cncc3)OCCOCCCCNCc4cc(c(c(c4)F)OC(F)(F)F)F
c1cc2c(cc1C(=O)O)nc(c3c2cncc3)OCCOCCCCNCc4cc(c(c(c4)F)OC(F)(F)F)F
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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