Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83202 | Target Info | |||
| Target Name | Ribosomal protein S6 kinase alpha-1 (RSK1) | ||||
| Synonyms | p90S6K; p90RSK1; p90-RSK 1; S6K-alpha-1; Ribosomal S6 kinase 1; RSK-1; MAPKAPK1A; MAPKAPK-1a; MAPKAP kinase 1a; MAPK-activated protein kinase 1a; MAP kinase-activated protein kinase 1a; 90 kDa ribosomal protein S6 kinase 1 | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | RPS6KA1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: L-betagamma-meATP | Ligand Info | |||||
| Structure Description | Crystal structure of the N-terminal kinase domain of human RSK-1 bound to AMP-PCP | PDB:2Z7Q | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
KADPSHFELL
65 KVLGQGSFGK75 VFLVRKVTRP85 DSGHLYAMKV95 LILADVNHPF123 VVKLHYAFQT 133 EGKLYLILDF143 LRGGDLFTRL153 SKEVMFTEED163 VKFYLAELAL173 GLDHLHSLGI 183 IYRDLKPENI193 LLDEEGHIKL203 TDFGLSKEGT225 VEYMAPEVVN235 RQGHSHSADW 245 WSYGVLMFEM255 LTGSLPFQGK265 DRKETMTLIL275 KAKLGMPQFL285 STEAQSLLRA 295 LFKRNPANRL305 GSGPDGAEEI315 KRHVFYSTID325 WNKLYRREIK335 PPFKP |
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LEU68
3.698
GLY69
3.894
GLN70
3.091
GLY71
2.781
SER72
3.440
PHE73
4.905
GLY74
4.437
VAL76
4.076
ALA92
3.327
LYS94
4.432
VAL125
4.246
LEU141
4.517
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| Ligand Name: Staurosporine | Ligand Info | |||||
| Structure Description | Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Staurosporine | PDB:2Z7R | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
GSEKADPSHF
62 ELLKVLGQGS72 FGKVFLVRKV82 TRPDSGHLYA92 MKVLKKATLK102 VILADVNHPF 123 VVKLHYAFQT133 EGKLYLILDF143 LRGGDLFTRL153 SKEVMFTEED163 VKFYLAELAL 173 GLDHLHSLGI183 IYRDLKPENI193 LLDEEGHIKL203 TDFGLSKEGT225 VEYMAPEVVN 235 RQGHSHSADW245 WSYGVLMFEM255 LTGSLPFQGK265 DRKETMTLIL275 KAKLGMPQFL 285 STEAQSLLRA295 LFKRNPANRL305 GSGPDGAEEI315 KRHVFYSTID325 WNKLYRREIK 335 PPFKP
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| Ligand Name: Purvalanol A | Ligand Info | |||||
| Structure Description | Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Purvalnol A | PDB:2Z7S | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
KADPSHFELL
65 KVLGQGSFGK75 VFLVRKVTRP85 DSGHLYAMKV95 LKILADVNHP122 FVVKLHYAFQ 132 TEGKLYLILD142 FLRGGDLFTR152 LSKEVMFTEE162 DVKFYLAELA172 LGLDHLHSLG 182 IIYRDLKPEN192 ILLDEEGHIK202 LTDFGLSKEG224 TVEYMAPEVV234 NRQGHSHSAD 244 WWSYGVLMFE254 MLTGSLPFQG264 KDRKETMTLI274 LKAKLGMPQF284 LSTEAQSLLR 294 ALFKRNPANR304 LGSGPDGAEE314 IKRHVFYSTI324 DWNKLYRREI334 KPPFKP |
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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 .P01 or .P012 or .P013 or :3P01;style chemicals stick;color identity;select .A:68 or .A:69 or .A:70 or .A:76 or .A:92 or .A:94 or .A:125 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148 or .A:191 or .A:194 or .A:204; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[2-[2-[2-(2-Acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid | Ligand Info | |||||
| Structure Description | Phospho-ERK2 bound to bivalent inhibitor SBP2 | PDB:5V61 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [2] |
| PDB Sequence |
TAQLKPIESS
720 ILAQRRV
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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 .90A or .90A2 or .90A3 or :390A;style chemicals stick;color identity;select .I:711 or .I:712; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors. Protein Sci. 2007 Dec;16(12):2626-35. | ||||
| REF 2 | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett. 2017 Jun 12;8(7):726-731. | ||||
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