2026-01-10_00000021
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ligand
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7I8H
Crystal Structure of 58b bound to CK2a;
X-ray diffraction 1.39Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1BZ6
InChI=1S/C28H28ClF3N4O4/c1-17(16-39-11-3-2-9-33-14-18-4-7-25(23(29)12-18)40-28(30,31)32)35-26-21-8-10-34-15-22(21)20-6-5-19(27(37)38)13-24(20)36-26/h4-8,10,12-13,15,17,33H,2-3,9,11,14,16H2,1H3,(H,35,36)(H,37,38)/t17-/m1/s1
InChI=1S/C28H28ClF3N4O4/c1-17(16-39-11-3-2-9-33-14-18-4-7-25(23(29)12-18)40-28(30,31)32)35-26-21-8-10-34-15-22(21)20-6-5-19(27(37)38)13-24(20)36-26/h4-8,10,12-13,15,17,33H,2-3,9,11,14,16H2,1H3,(H,35,36)(H,37,38)/t17-/m1/s1
SMILES: C[C@H](COCCCCNCc1ccc(c(c1)Cl)OC(F)(F)F)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
C[C@H](COCCCCNCc1ccc(c(c1)Cl)OC(F)(F)F)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
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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