Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T80526 | Target Info | |||
| Target Name | Casein kinase II alpha prime (CSNK2A2) | ||||
| Synonyms | Casein kinase II subunit alpha'; CK2A2; CK II alpha' | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | CSNK2A2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3-(4,5,6,7-Tetrabromo-1h-Benzotriazol-1-Yl)propan-1-Ol | Ligand Info | |||
| Canonical SMILES | C(CN1C2=C(C(=C(C(=C2Br)Br)Br)Br)N=N1)CO | ||||
| InChI | 1S/C9H7Br4N3O/c10-4-5(11)7(13)9-8(6(4)12)14-15-16(9)2-1-3-17/h17H,1-3H2 | ||||
| InChIKey | VXLNELSTYPRMEW-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 44123807 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3OFM Structure of a human CK2alpha prime, the paralog isoform of the catalytic subunit of protein kinase CK2 from Homo sapiens | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
SRARVYAEVN
17 SLRSREYWDY27 EAHVPSWGNQ37 DDYQLVRKLG47 RGKYSEVFEA57 INITNNERVV 67 VKILKPVKKK77 KIKREVKILE87 NLRGGTNIIK97 LIDTVKDPVS107 KTPALVFEYI 117 NNTDFKQLYQ127 ILTDFDIRFY137 MYELLKALDY147 CHSKGIMHRD157 VKPHNVMIDH 167 QQKKLRLIDW177 GLAEFYHPAQ187 EYNVRVASRY197 FKGPELLVDY207 QMYDYSLDMW 217 SLGCMLASMI227 FRREPFFHGQ237 DNYDQLVRIA247 KVLGTEELYG257 YLKKYHIDLD 267 PHFNDILGQH277 SRKRWENFIH287 SENRHLVSPE297 ALDLLDKLLR307 YDHQQRLTAK 317 EAMEHPYFYP327 VVKEQ
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| PDB ID: 6HMQ STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002 | ||||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQS
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| PDB ID: 7AT9 Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine | ||||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [3] |
| PDB Sequence |
AGSRARVYAE
15 VNSLRSREYW25 DYEAHVPSWG35 NQDDYQLVRK45 LGRGKYSEVF55 EAINITNNER 65 VVVKILKPVK75 KKKIKREVKI85 LENLRGGTNI95 IKLIDTVKDP105 VSKTPALVFE 115 YINNTDFKQL125 YQILTDFDIR135 FYMYELLKAL145 DYCHSKGIMH155 RDVKPHNVMI 165 DHQQKKLRLI175 DWGLAEFYHP185 AQEYNVRVAS195 RYFKGPELLV205 DYQMYDYSLD 215 MWSLGCMLAS225 MIFRREPFFH235 GQDNYDQLVR245 IAKVLGTEEL255 YGYLKKYHID 265 LDPHFNDILG275 QHSRKRWENF285 IHSENRHLVS295 PEALDLLDKL305 LRYDHQQRLT 315 AKEAMEHPYF325 YPVVKEQS
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the human protein kinase CK2 catalytic subunit CK2Alpha' and interaction thermodynamics with the regulatory subunit CK2beta. J Mol Biol. 2011 Mar 18;407(1):1-12. | ||||
| REF 2 | Diacritic Binding of an Indenoindole Inhibitor by CK2Alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2Alpha' Structures. ACS Omega. 2019 Mar 19;4(3):5471-5478. | ||||
| REF 3 | Molecular Plasticity of Crystalline CK2Alpha' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J Med Chem. 2022 Jan 27;65(2):1302-1312. | ||||
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