Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T87109 | Target Info | |||
| Target Name | Casein kinase I delta (CSNK1D) | ||||
| Synonyms | Tau-protein kinase CSNK1D; HCKID; Casein kinase I isoform delta; CKId; CKI-delta | ||||
| Target Type | Preclinical Target | ||||
| Gene Name | CSNK1D | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonothreonine | Ligand Info | |||
| Canonical SMILES | CC(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | ||||
| InChIKey | USRGIUJOYOXOQJ-GBXIJSLDSA-N | ||||
| PubChem Compound ID | 3246323 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7NZY Crystal structure of human Casein Kinase I delta in complex with CGS-15943 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [1] |
| PDB Sequence |
RVGNRYRLGR
13 KIGSGSFGDI23 YLGTDIAAGE33 EVAIKLECVK43 TKHPQLHIES53 KIYKMMQGGV 63 GIPTIRWCGA73 EGDYNVMVME83 LLGPSLEDLF93 NFCSRKFSLK103 TVLLLADQMI 113 SRIEYIHSKN123 FIHRDVKPDN133 FLMGLGKKGN143 LVYIIDFGLA153 KKYRQHIPYR 168 ENKNLTGTAR178 YASINTHLGI188 EQSRRDDLES198 LGYVLMYFNL208 GSLPWQGLKA 218 AKRQKYERIS229 EKKMSTPIEV239 LCKGYPSEFA249 TYLNFCRSLR259 FDDKPDYSYL 269 RQLFRNLFHR279 QGFSYDYVFD289 WNMLK
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| PDB ID: 6F1W Crystal structure of human Casein Kinase I delta in complex with compound 31a | ||||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [2] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGSGGDIY24 LGTDIAAGEE34 VAIKLECVKP47 QLHIESKIYK57 MMQGGVGIPT 67 IRWCGAEGDY77 NVMVMELLGP87 SLEDLFNFCS97 RKFSLKTVLL107 LADQMISRIE 117 YIHSKNFIHR127 DVKPDNFLMG137 LGKKGNLVYI147 IDFGLAKKYR157 DARTHQHIPY 167 RENKNLTGTA177 RYASINTHLG187 IEQSRRDDLE197 SLGYVLMYFN207 LGSLPWQGLK 217 AAKRQKYERI228 SEKKMSTPIE238 VLCKGYPSEF248 ATYLNFCRSL258 RFDDKPDYSY 268 LRQLFRNLFH278 RQGFSYDYVF288 DWNM
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| PDB ID: 5OKT Crystal structure of human Casein Kinase I delta in complex with IWP-2 | ||||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [3] |
| PDB Sequence |
RVGNRYRLGR
13 KIGSGSFGDI23 YLGTDIAAGE33 EVAIKLECVK43 TKHPQLHIES53 KIYKMMQGGV 63 GIPTIRWCGA73 EGDYNVMVME83 LLGPSLEDLF93 NFCSRKFSLK103 TVLLLADQMI 113 SRIEYIHSKN123 FIHRDVKPDN133 FLMGLGKKGN143 LVYIIDFGLA153 KKYRQHIPYR 168 ENKNLTGTAR178 YASINTHLGI188 EQSRRDDLES198 LGYVLMYFNL208 GSLPWQGLKA 218 AKRQKYERIS229 EKKMSTPIEV239 LCKGYPSEFA249 TYLNFCRSLR259 FDDKPDYSYL 269 RQLFRNLFHR279 QGFSYDYVFD289 WNMLK
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| PDB ID: 7P7G Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 2 and 3 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [4] |
| PDB Sequence |
RYRLGRKIGS
17 GSFGDIYLGT27 DIAAGEEVAI37 KLECVKTKHP47 QLHIESKIYK57 MMQGGVGIPT 67 IRWCGAEGDY77 NVMVMELLGP87 SLEDLFNFCS97 RKFSLKTVLL107 LADQMISRIE 117 YIHSKNFIHR127 DVKPDNFLMG137 LGKKGNLVYI147 IDFGLAKKYR157 DARTHQHIPY 167 RENKNLTGTA177 RYASINTHLG187 IEQSRRDDLE197 SLGYVLMYFN207 LGSLPWQGLK 217 AAKRQKYERI228 SEKKMSTPIE238 VLCKGYPSEF248 ATYLNFCRSL258 RFDDKPDYSY 268 LRQLFRNLFH278 RQGFSYDYVF288 DWNMLK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:218 or .A:219 or .A:221 or .A:222; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7P7F Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 1 | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [4] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGSGSFGD22 IYLGTDIAAG32 EEVAIKLECV42 KTKHPQLHIE52 SKIYKMMQGG 62 VGIPTIRWCG72 AEGDYNVMVM82 ELLGPSLEDL92 FNFCSRKFSL102 KTVLLLADQM 112 ISRIEYIHSK122 NFIHRDVKPD132 NFLMGLGKKG142 NLVYIIDFGL152 AKKYRDARTH 162 QHIPYRENKN172 LTGTARYASI182 NTHLGIEQSR192 RDDLESLGYV202 LMYFNLGSLP 212 WQGLKAAKRQ223 KYERISEKKM233 STPIEVLCKG243 YPSEFATYLN253 FCRSLRFDDK 263 PDYSYLRQLF273 RNLFHRQGFS283 YDYVFDWNML293 K
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:218 or .A:219 or .A:221 or .A:222 or .A:223 or .A:224; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Triazolo[1,5-c]chinazolines as Selective BMP Signaling Amplifiers By Combined Targeting of Specific PI3K and CK1 Isoforms | ||||
| REF 2 | Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds. Molecules. 2019 Mar 1;24(5):873. | ||||
| REF 3 | Discovery of Inhibitor of Wnt Production 2 (IWP-2) and Related Compounds As Selective ATP-Competitive Inhibitors of Casein Kinase 1 (CK1) Delta/Epsilon. J Med Chem. 2018 May 10;61(9):4087-4102. | ||||
| REF 4 | Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. Mol Cell. 2022 Jun 2;82(11):2006-2020.e8. | ||||
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