Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46685 | Target Info | |||
| Target Name | CDC-like kinase 1 (CLK1) | ||||
| Synonyms | Dual specificity protein kinase CLK1; CLK; CDClike kinase 1 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | CLK1 | ||||
| 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: 2VAG Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
MHLICQSGDV
156 LSARYEIVDT166 LGEGAFGKVV176 ECIDHKAGGR186 HVAVKIVKNV196 DRYCEAARSE 206 IQVLEHLNTT216 DPNSTFRCVQ226 MLEWFEHHGH236 ICIVFELLGL246 STYDFIKENG 256 FLPFRLDHIR266 KMAYQICKSV276 NFLHSNKLTH286 TDLKPENILF296 VQSDYTEAYN 306 KRDERTLINP319 DIKVVDFGSA329 TYDDEHHSTL339 VRHYRAPEVI351 LALGWSQPCD 361 VWSIGCILIE371 YYLGFTVFPT381 HDSKEHLAMM391 ERILGPLPKH401 MIQKTRKRKY 411 FHHDRLDWDE421 HSSAGRYVSR431 ACKPLKEFML441 SQDVEHERLF451 DLIQKMLEYD 461 PAKRITLREA471 LKHPFFDLLK481
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| PDB ID: 6TW2 Re-refined crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
MHLICQSGDV
156 LSARYEIVDT166 LGEGAFGKVV176 ECIDHKAGGR186 HVAVKIVKNV196 DRYCEAARSE 206 IQVLEHLNTT216 DPNSTFRCVQ226 MLEWFEHHGH236 ICIVFELLGL246 STYDFIKENG 256 FLPFRLDHIR266 KMAYQICKSV276 NFLHSNKLTH286 TDLKPENILF296 VQSDYTEAYN 306 RDERTLINPD320 IKVVDFGSAT330 YDDEHHSTLV340 STRHYRAPEV350 ILALGWSQPC 360 DVWSIGCILI370 EYYLGFTVFP380 THDSKEHLAM390 MERILGPLPK400 HMIQKTRKRK 410 YFHHDRLDWD420 EHSSAGRYVS430 RACKPLKEFM440 LSQDVEHERL450 FDLIQKMLEY 460 DPAKRITLRE470 ALKHPFFDLL480 KKSI
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| PDB ID: 6G33 Crystal structure of CLK1 in complex with 5-iodotubercidin | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [3] |
| PDB Sequence |
SMHLICQSGD
155 VLSARYEIVD165 TLGEGAFGKV175 VECIDHKAGG185 RHVAVKIVKN195 VDRYCEAARS 205 EIQVLEHLNT215 TDPNSTFRCV225 QMLEWFEHHG235 HICIVFELLG245 LSTYDFIKEN 255 GFLPFRLDHI265 RKMAYQICKS275 VNFLHSNKLT285 HTDLKPENIL295 FVQSDYTEAY 305 NPKIKRDERT315 LINPDIKVVD325 FGSATYDDEH335 HSTLVRHYRA347 PEVILALGWS 357 QPCDVWSIGC367 ILIEYYLGFT377 VFPTHDSKEH387 LAMMERILGP397 LPKHMIQKTR 407 KRKYFHHDRL417 DWDEHSSAGR427 YVSRACKPLK437 EFMLSQDVEH447 ERLFDLIQKM 457 LEYDPAKRIT467 LREALKHPFF477 DLLKK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Specific CLK inhibitors from a novel chemotype for regulation of alternative splicing. Chem Biol. 2011 Jan 28;18(1):67-76. | ||||
| REF 2 | A Conserved Kinase-Based Body-Temperature Sensor Globally Controls Alternative Splicing and Gene Expression. Mol Cell. 2020 Apr 2;78(1):57-69.e4. | ||||
| REF 3 | Halogen-Aromatic Pi Interactions Modulate Inhibitor Residence Times. Angew Chem Int Ed Engl. 2018 Jun 11;57(24):7220-7224. | ||||
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