2026-08-15_00000143
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ligand
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9T2X
Structure of protein kinase CK2 catalytic subunit CK2alpha' (CSNK2A2 gene product) in complex with the indenoindole-precursor compound JC0151;
X-ray diffraction 1.10Å
Protein #1
364 residues (90% resolved)
Raw Sequence ...
MGSSHHHHHHSQDPMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR
Canonical Sequence ...
MGSSHHHHHHSQDPMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR
Non polymer #2
A1I5N
InChI=1S/C18H15Br2NO2/c1-8(2)21-12-4-3-5-13(22)15(12)16-17(21)10-6-9(19)7-11(20)14(10)18(16)23/h6-8H,3-5H2,1-2H3
InChI=1S/C18H15Br2NO2/c1-8(2)21-12-4-3-5-13(22)15(12)16-17(21)10-6-9(19)7-11(20)14(10)18(16)23/h6-8H,3-5H2,1-2H3
SMILES: CC(C)n1c2c(c3c1-c4cc(cc(c4C3=O)Br)Br)C(=O)CCC2
CC(C)n1c2c(c3c1-c4cc(cc(c4C3=O)Br)Br)C(=O)CCC2
Non polymer #3
A1JSZ
InChI=1S/C18H19NO4/c1-10(2)19-13-8-5-9-14(20)15(13)17(22)16(21)11-6-3-4-7-12(11)18(17,19)23/h3-4,6-7,10,22-23H,5,8-9H2,1-2H3/t17-,18+/m1/s1
InChI=1S/C18H19NO4/c1-10(2)19-13-8-5-9-14(20)15(13)17(22)16(21)11-6-3-4-7-12(11)18(17,19)23/h3-4,6-7,10,22-23H,5,8-9H2,1-2H3/t17-,18+/m1/s1
SMILES: CC(C)N1C2=C(C(=O)CCC2)[C@@]3([C@]1(c4ccccc4C3=O)O)O
CC(C)N1C2=C(C(=O)CCC2)[C@@]3([C@]1(c4ccccc4C3=O)O)O
Biounit #1
monomer
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Model
Reference
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