2026-01-10_00000019
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ligand
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7I8F
Crystal Structure of 58e bound to CK2a;
X-ray diffraction 1.45Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1BZ8
InChI=1S/C28H26ClF3N4O4/c29-23-12-17(2-5-25(23)40-28(30,31)32)14-33-8-1-11-39-19-7-10-36(16-19)26-21-6-9-34-15-22(21)20-4-3-18(27(37)38)13-24(20)35-26/h2-6,9,12-13,15,19,33H,1,7-8,10-11,14,16H2,(H,37,38)/t19-/m1/s1
InChI=1S/C28H26ClF3N4O4/c29-23-12-17(2-5-25(23)40-28(30,31)32)14-33-8-1-11-39-19-7-10-36(16-19)26-21-6-9-34-15-22(21)20-4-3-18(27(37)38)13-24(20)35-26/h2-6,9,12-13,15,19,33H,1,7-8,10-11,14,16H2,(H,37,38)/t19-/m1/s1
SMILES: c1cc(c(cc1CNCCCO[C@@H]2CCN(C2)c3c4ccncc4c5ccc(cc5n3)C(=O)O)Cl)OC(F)(F)F
c1cc(c(cc1CNCCCO[C@@H]2CCN(C2)c3c4ccncc4c5ccc(cc5n3)C(=O)O)Cl)OC(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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