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 | 4-[6,8-Bis(Chloranyl)-3-Oxidanyl-4-Oxidanylidene-Chromen-2-Yl]benzoic Acid | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=CC(=C3)Cl)Cl)O)C(=O)O | ||||
| InChI | 1S/C16H8Cl2O5/c17-9-5-10-12(19)13(20)14(23-15(10)11(18)6-9)7-1-3-8(4-2-7)16(21)22/h1-6,20H,(H,21,22) | ||||
| InChIKey | CFWCAEJMOUILDR-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 38997316 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5M4U ORTHORHOMBIC COMPLEX STRUCTURE OF HUMAN PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') WITH THE INHIBITOR 4'-CARBOXY-6,8-CHLORO- FLAVONOL (FLC21) | ||||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPAAGSRARV
12 YAEVNSLRSR22 EYWDYEAHVP32 SWGNQDGYQL42 VRKLGRGKYS52 EVFEAINITN 62 NERVVVKILK72 PVKKKKIKRE82 VKILENLRGG92 TNIIKLIDTV102 KDPVSKTPAL 112 VFEYINNTDF122 KQLYQILTDF132 DIRFYMYELL142 KALDYCHSKG152 IMHRDVKPHN 162 VMIDHQQKKL172 RLIDWGLAEF182 YHPAQEYNVR192 VASRYFKGPE202 LLVDYQMYDY 212 SLDMWSLGCM222 LASMIFRREP232 FFHGQDNYDQ242 LVRIAKVLGT252 EELYGYLKKY 262 HIDLDPHFND272 ILGQHSRKRW282 ENFIHSENRH292 LVSPEALDLL302 DKLLRYDHQQ 312 RLTAKEAMEH322 PYFYPVVKEQ332 SQ
|
|||||
|
|
||||||
| PDB ID: 5M56 Monoclinic complex structure of human protein kinase CK2 catalytic subunit (isoform CK2alpha') with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) | ||||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | Yes | [1] |
| PDB Sequence |
PGPAAGSRAR
11 VYAEVNSLRS21 REYWDYEAHV31 PSWGNQDGYQ41 LVRKLGRGKY51 SEVFEAINIT 61 NNERVVVKIL71 KPVKKKKIKR81 EVKILENLRG91 GTNIIKLIDT101 VKDPVSKTPA 111 LVFEYINNTD121 FKQLYQILTD131 FDIRFYMYEL141 LKALDYCHSK151 GIMHRDVKPH 161 NVMIDHQQKK171 LRLIDWGLAE181 FYHPAQEYNV191 RVASRYFKGP201 ELLVDYQMYD 211 YSLDMWSLGC221 MLASMIFRRE231 PFFHGQDNYD241 QLVRIAKVLG251 TEELYGYLKK 261 YHIDLDPHFN271 DILGQHSRKR281 WENFIHSENR291 HLVSPEALDL301 LDKLLRYDHQ 311 QRLTAKEAME321 HPYFYPVVKE331 Q
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals (Basel). 2017 Jan 11;10(1):9. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.