2026-01-10_00000031
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ligand
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7I8R
Crystal Structure of 54m bound to CK2a;
X-ray diffraction 1.72Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1BZT
InChI=1S/C31H32F3N7O3/c32-31(33,34)44-24-13-20(12-22-17-39-40-18-22)11-21(14-24)16-36-6-1-2-9-43-10-8-38-30-26-5-7-37-19-27(26)25-4-3-23(29(35)42)15-28(25)41-30/h3-5,7,11,13-15,17-19,36H,1-2,6,8-10,12,16H2,(H2,35,42)(H,38,41)(H,39,40)
InChI=1S/C31H32F3N7O3/c32-31(33,34)44-24-13-20(12-22-17-39-40-18-22)11-21(14-24)16-36-6-1-2-9-43-10-8-38-30-26-5-7-37-19-27(26)25-4-3-23(29(35)42)15-28(25)41-30/h3-5,7,11,13-15,17-19,36H,1-2,6,8-10,12,16H2,(H2,35,42)(H,38,41)(H,39,40)
SMILES: c1cc2c(cc1C(=O)N)nc(c3c2cncc3)NCCOCCCCNCc4cc(cc(c4)OC(F)(F)F)Cc5c[nH]nc5
c1cc2c(cc1C(=O)N)nc(c3c2cncc3)NCCOCCCCNCc4cc(cc(c4)OC(F)(F)F)Cc5c[nH]nc5
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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