2026-01-10_00000018
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ligand
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7I8E
Crystal Structure of 58d bound to CK2a;
X-ray diffraction 1.66Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1BZ9
InChI=1S/C28H26ClF3N4O4/c29-23-11-17(3-6-25(23)40-28(30,31)32)13-33-8-1-2-10-39-19-15-36(16-19)26-21-7-9-34-14-22(21)20-5-4-18(27(37)38)12-24(20)35-26/h3-7,9,11-12,14,19,33H,1-2,8,10,13,15-16H2,(H,37,38)
InChI=1S/C28H26ClF3N4O4/c29-23-11-17(3-6-25(23)40-28(30,31)32)13-33-8-1-2-10-39-19-15-36(16-19)26-21-7-9-34-14-22(21)20-5-4-18(27(37)38)12-24(20)35-26/h3-7,9,11-12,14,19,33H,1-2,8,10,13,15-16H2,(H,37,38)
SMILES: c1cc(c(cc1CNCCCCOC2CN(C2)c3c4ccncc4c5ccc(cc5n3)C(=O)O)Cl)OC(F)(F)F
c1cc(c(cc1CNCCCCOC2CN(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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