Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T69375 | Target Info | |||
| Target Name | Stress-activated protein kinase JNK2 (JNK2) | ||||
| Synonyms | Stress-activated protein kinase 1a; SAPK1a; PRKM9; Mitogen-activated protein kinase 9; Mitogen-activated protein kinase 8-interacting protein 2; MAPK 9; MAP kinase 9; Jun-N-terminal kinase 2; JNK-interacting protein 2; JNK-55; JNK MAP kinase scaffold protein 2; JIP-2; Islet-brain-2; IB-2; C-jun-amino-terminal kinase interacting protein 2; C-Jun N-terminal kinase 2 | ||||
| Target Type | Preclinical Target | ||||
| Gene Name | MAPK9 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine monophosphate | Ligand Info | |||||
| Structure Description | Crystal Structure of AMP-bound Human JNK2 | PDB:7N8T | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [1] |
| PDB Sequence |
FYSVEVADST
19 FTVLKRYQQL29 KPIGSGAQGI39 VCAAFDTVLG49 INVAVKKLSR59 PFQNQTHAKR 69 AYRELVLLKC79 VNHKNIISLL89 NVFTPQKTLE99 EFQDVYLVME109 LMDANLCQVI 119 HMELDHERMS129 YLLYQMLCGI139 KHLHSAGIIH149 RDLKPSNIVV159 KSDCTLKILD 169 FGLARTACTN179 FMMTPYVVTR189 YYRAPEVILG199 MGYAANVDIW209 SVGCIMGELV 219 KGCVIFQGTD229 HIDQWNKVIE239 QLGTPSAEFM249 AALQPTVRNY259 VENRPKYPGI 269 KFEELFPDWI279 FPSESERDKI289 KTSQARDLLS299 KMLVIDPDKR309 ISVDEALRHP 319 YITVWYDPAE329 AEAPPPQIYD339 AQLEEREHAI349 EEWKELIYKE359 VMDWE |
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ILE32
3.651
GLY33
3.595
SER34
3.544
GLY35
3.116
ALA36
4.237
VAL40
4.043
ALA53
3.541
LYS55
3.452
ILE86
3.785
MET108
4.023
GLU109
2.990
|
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| Ligand Name: Doramapimod | Ligand Info | |||||
| Structure Description | Crystal structure of JNK2 complexed with BIRB796 | PDB:3NPC | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [2] |
| PDB Sequence |
DNQFYSVEVA
16 DSTFTVLKRY26 QQLKPIGSGA36 QGIVCAAFDT46 VLGINVAVKK56 LSRPFQNQTH 66 AKRAYRELVL76 LKCVNHKNII86 SLLNVFTPQK96 TLEEFQDVYL106 VMELMDANLC 116 QVIHMELDHE126 RMSYLLYQML136 CGIKHLHSAG146 IIHRDLKPSN156 IVVKSDCTLK 166 ILDFGLARTA176 CTNFMMTPYV186 VTRYYRAPEV196 ILGMGYAANV206 DIWSVGCIMG 216 ELVKGCVIFQ226 GTDHIDQWNK236 VIEQLGTPSA246 EFMAALQPTV256 RNYVENRPKY 266 PGIKFEELFP276 DWIFPSESER286 DKIKTSQARD296 LLSKMLVIDP306 DKRISVDEAL 316 RHPYITVWYD326 PAEAEAPPPQ336 IYDAQLEERE346 HAIEEWKELI356 YKEVMDW |
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|
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ILE32
3.963
GLN37
3.823
VAL40
3.565
ALA53
3.500
VAL54
4.551
LYS55
3.689
ARG69
3.519
ARG72
3.964
GLU73
2.817
LEU76
3.663
LEU77
3.836
VAL80
4.638
ILE85
4.241
ILE86
3.549
LEU88
4.402
LEU106
3.601
|
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| Ligand Name: N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of JNK2 | PDB:3E7O | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | Yes | [3] |
| PDB Sequence |
QFYSVQVADS
18 TFTVLKRYQQ28 LKPIGSGAQG38 IVCAAFDTVL48 GINVAVKKLS58 RPFQNQTHAK 68 RAYRELVLLK78 CVNHKNIISL88 LNVFTPQKTL98 EEFQDVYLVM108 ELMDANLCQV 118 IHMELDHERM128 SYLLYQMLCG138 IKHLHSAGII148 HRDLKPSNIV158 VKSDCTLKIL 168 DFGLARTAST178 NFMMTPYVVT188 RYYRAPEVIL198 GMGYKENVDI208 WSVGCIMGEL 218 VKGSVIFQGT228 DHIDQWNKVI238 EQLGTPSAEF248 MAALQPTVRN258 YVENRPAYPG 268 IAFEELFPDW278 IFPSERDKIK290 TSQARDLLSK300 MLVIDPDKRI310 SVDEALRHPY 320 ITVWYDPAEA330 EAPPPQIHAI349 EEWKELIYKE359 VM
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J Med Chem. 2023 Mar 9;66(5):3356-3371. | ||||
| REF 2 | X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: insights into the rational design of DFG-out binding MAP kinase inhibitors. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5217-20. | ||||
| REF 3 | The crystal structure of JNK2 reveals conformational flexibility in the MAP kinase insert and indicates its involvement in the regulation of catalytic activity. J Mol Biol. 2008 Nov 21;383(4):885-93. | ||||
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