2025-10-18_00000375
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ligand
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9QQX
Crystal Structure of 54k bound to CK2a;
X-ray diffraction 1.60Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1I9L
InChI=1S/C28H29F3N6O4/c29-28(30,31)41-20-12-17(11-19(13-20)26(33)39)15-34-6-1-2-9-40-10-8-36-27-22-5-7-35-16-23(22)21-4-3-18(25(32)38)14-24(21)37-27/h3-5,7,11-14,16,34H,1-2,6,8-10,15H2,(H2,32,38)(H2,33,39)(H,36,37)
InChI=1S/C28H29F3N6O4/c29-28(30,31)41-20-12-17(11-19(13-20)26(33)39)15-34-6-1-2-9-40-10-8-36-27-22-5-7-35-16-23(22)21-4-3-18(25(32)38)14-24(21)37-27/h3-5,7,11-14,16,34H,1-2,6,8-10,15H2,(H2,32,38)(H2,33,39)(H,36,37)
SMILES: c1cc2c(cc1C(=O)N)nc(c3c2cncc3)NCCOCCCCNCc4cc(cc(c4)OC(F)(F)F)C(=O)N
c1cc2c(cc1C(=O)N)nc(c3c2cncc3)NCCOCCCCNCc4cc(cc(c4)OC(F)(F)F)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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