2026-08-15_00000170
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ligand
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9TM3
Monoclinic crystal structure of protein kinase CK2 catalytic subunit CK2alpha' (CSNK2A2 gene product) in complex with the indenoindole-precursor compound JC0151;
X-ray diffraction 1.20Å
Protein #1
364 residues (90% resolved)
Raw Sequence ...
MGSSHHHHHHSQDPMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR
Canonical Sequence ...
MGSSHHHHHHSQDPMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR
Non polymer #2
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
Non polymer #3
NIO
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
SMILES: c1cc(cnc1)C(=O)O
c1cc(cnc1)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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