Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T00663 | Target Info | |||
| Target Name | Stress-activated protein kinase JNK3 (JNK3) | ||||
| Synonyms | Stress-activated protein kinase 1b; SAPK1b; PRKM10; Mitogen-activated protein kinase 10; MAPK 10; MAP kinase p49 3F12; MAP kinase 10; JNK3A; C-Jun N-terminal kinase 3 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | MAPK10 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | AMP-PNP | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N | ||||
| InChI | 1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | PVKSNHVPLWYQGJ-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 33113 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1JNK THE C-JUN N-TERMINAL KINASE (JNK3S) COMPLEXED WITH MGAMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
DNQFYSVEVG
54 DSTFTVLKRY64 QNLKPIGSGA74 QGIVCAAYDA84 VLDRNVAIKK94 LSRPFQNQTH 104 AKRAYRELVL114 MKCVNHKNII124 SLLNVFTPQK134 TLEEFQDVYL144 VMELMDANLC 154 QVIQMELDHE164 RMSYLLYQML174 CGIKHLHSAG184 IIHRDLKPSN194 IVVKSDCTLK 204 ILDFGLASFM219 MTPYVVTRYY229 RAPEVILGMG239 YKENVDIWSV249 GCIMGEMVRH 259 KILFPGRDYI269 DQWNKVIEQL279 GTPCPEFMKK289 LQPTVRNYVE299 NRPKYAGLTF 309 PKLFPDSLFP319 ADSEHNKLKA329 SQARDLLSKM339 LVIDPAKRIS349 VDDALQHPYI 359 NVWYDPAEVE369 APPPQLDERE384 HTIEEWKELI394 YKEVMN
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ILE70
3.518
GLY71
3.293
SER72
3.601
GLY73
2.911
ALA74
2.742
GLN75
3.046
GLY76
3.637
VAL78
3.445
ALA91
3.581
LYS93
3.011
ILE124
3.906
MET146
3.758
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| PDB ID: 4Z9L THE STRUCTURE OF JNK3 IN COMPLEX WITH AN IMIDAZOLE-PYRIMIDINE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
DNQFYSVEVG
54 DSTFTVLKRY64 QNLKPIGSGA74 QGIVCAAYDA84 VLDRNVAIKK94 LSRPFQNQTH 104 AKRAYRELVL114 MKCVNHKNII124 SLLNVFTPQK134 TLEEFQDVYL144 VMELMDANLC 154 QVIQMELDHE164 RMSYLLYQML174 CGIKHLHSAG184 IIHRDLKPSN194 IVVKSDCTLK 204 ILDFGLSFMM220 VTRYYRAPEV234 ILGMGYKENV244 DIWSVGCIMG254 EMVRHKILFP 264 GRDYIDQWNK274 VIEQLGTPCP284 EFMKKLQPTV294 RNYVENRPKY304 AGLTFPKLFP 314 DSLFDSEHNK326 LKASQARDLL336 SKMLVIDPAK346 RISVDDALQH356 PYINVWYDPA 366 EVEAPPPHTI387 EEWKELIYKE397 VMN
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of JNK3: a kinase implicated in neuronal apoptosis. Structure. 1998 Aug 15;6(8):983-91. | ||||
| REF 2 | The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity. Chem Biol. 2003 Aug;10(8):705-12. | ||||
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