2026-01-17_00000311
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ligand
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9QB9
CK2, catalytic subunit alpha' (CSNK2A2 gene product) in complex with a heparin-derived trisaccharide and the ATP-competitive inhibitor 4w;
X-ray diffraction 1.19Å
Protein #1
370 residues (88% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR
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
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
hetero-1-1-mer
Download coordinates
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Model
Reference
100%