Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T95878 | Target Info | |||
| Target Name | Ribosomal protein S6 kinase alpha-6 (RSK6) | ||||
| Synonyms | pp90RSK4; p90RSK6; p90-RSK 6; S6K-alpha-6; Ribosomal S6 kinase 4; RSK4; RSK-4; 90 kDa ribosomal protein S6 kinase 6 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | RPS6KA6 | ||||
| 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: 6G77 RSK4 N-terminal Kinase Domain in complex with AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [1] |
| PDB Sequence |
VVKEIPITHH
60 VKEGYEKADP70 AQFELLKVLG80 QGSFGKVFLV90 RKKTGPDAGQ100 LYAMKVLKKA 110 SLKVRDDILV128 EVNHPFIVKL138 HYAFQTEGKL148 YLILDFLRGG158 DVFTRLSKEV 168 LFTEEDVKFY178 LAELALALDH188 LHQLGIVYRD198 LKPENILLDE208 IGHIKLTDFG 218 LSKESVDQEK228 KAYSFCGTVE238 YMAPEVVNRR248 GHSQSADWWS258 YGVLMFEMLT 268 GTLPFQGKDR278 NETMNMILKA288 KLGMPQFLSA298 EAQSLLRMLF308 KRNPANRLGS 318 EGVEEIKRHL328 FFANIDWDKL338 YKREVQPPFK348 P
|
|||||
|
|
VAL52
3.876
LEU79
3.718
GLY80
3.579
GLN81
3.749
GLY82
2.938
SER83
1.714
PHE84
2.640
GLY85
3.791
VAL87
3.277
ALA103
3.173
LYS105
2.664
LYS113
3.351
VAL114
4.147
ARG115
3.671
VAL136
4.210
LEU152
4.426
ASP153
2.642
PHE154
3.853
LEU155
3.154
ASP159
4.944
|
|||||
| PDB ID: 6G78 RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
VVKEIPITHH
60 VKEGYEKADP70 AQFELLKVLG80 QGSFGKVFLV90 RKKTGPDAGQ100 LYAMKVLKKA 110 SLKVRDDILV128 EVNHPFIVKL138 HYAFQTEGKL148 YLILDFLRGG158 DVFTRLSKEV 168 LFTEEDVKFY178 LAELALALDH188 LHQLGIVYRD198 LKPENILLDE208 IGHIKLTDFG 218 LSKESVDQGT236 VEYMAPEVVN246 RRGHSQSADW256 WSYGVLMFEM266 LTGTLPFQGK 276 DRNETMNMIL286 KAKLGMPQFL296 SAEAQSLLRM306 LFKRNPANRL316 GSEGVEEIKR 326 HLFFANIDWD336 KLYKREVQPP346 FKP
|
|||||
|
|
LEU79
3.670
GLY80
3.616
GLN81
3.758
GLY82
2.903
SER83
2.765
PHE84
2.457
GLY85
4.095
VAL87
3.243
ALA103
3.254
LYS105
1.837
LEU107
4.794
VAL136
3.869
|
|||||
| PDB ID: 6G76 Phosphorylated RSK4 N-terminal Kinase Domain in complex with AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
VVKEIPITHH
60 VKEGYEKADP70 AQFELLKVLG80 QGSFGKVFLV90 RKKTGPDAGQ100 LYAMKVLKKA 110 SLKVRDDILV128 EVNHPFIVKL138 HYAFQTEGKL148 YLILDFLRGG158 DVFTRLSKEV 168 LFTEEDVKFY178 LAELALALDH188 LHQLGIVYRD198 LKPENILLDE208 IGHIKLTDFG 218 LSKESVDQEK228 KAYFCGTVEY239 MAPEVVNRRG249 HSQSADWWSY259 GVLMFEMLTG 269 TLPFQGKDRN279 ETMNMILKAK289 LGMPQFLSAE299 AQSLLRMLFK309 RNPANRLGSE 319 GVEEIKRHLF329 FANIDWDKLY339 KREVQPPFKP349
|
|||||
|
|
VAL52
3.888
LEU79
3.414
GLY80
3.570
GLN81
3.789
GLY82
3.149
SER83
2.259
PHE84
3.443
GLY85
3.895
VAL87
3.265
ALA103
3.393
LYS105
2.911
LYS113
3.476
VAL114
4.641
ARG115
3.071
VAL136
4.373
LEU152
4.757
ASP153
2.468
PHE154
3.412
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med. 2021 Jul 14;13(602):eaba4627. | ||||
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