Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T64682 | Target Info | |||
| Target Name | Serine/threonine-protein kinase Sgk1 (SGK1) | ||||
| Synonyms | Serum/glucocorticoid-regulated kinase 1; SGK1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | SGK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP | PDB:2R5T | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
QINLGPSSNP
91 HAKPSDFHFL101 KVIGKGSFGK111 VLLARHKAEE121 VFYAVKVLQK131 KAILVLLKNV 154 KHPFLVGLHF164 SFQTADKLYF174 VLDYINGGEL184 FYHLQRERCF194 LEPRARFYAA 204 EIASALGYLH214 SLNIVYRDLK224 PENILLDSQG234 HIVLTDFGLC244 KENIEHNSTT 254 STFCGTPEYL264 APEVLHKQPY274 DRTVDWWCLG284 AVLYEMLYGL294 PPFYSRNTAE 304 MYDNILNKPL314 QLKPNITNSA324 RHLLEGLLQK334 DRTKRLGAKD344 DFMEIKSHVF 354 FSLINWDDLI364 NKKITPPFNP374 NVSG
|
|||||
|
|
ILE104
3.349
GLY105
3.999
LYS106
4.054
GLY107
3.119
SER108
2.719
PHE109
2.853
GLY110
3.789
VAL112
3.886
ALA125
3.484
LYS127
2.544
VAL160
3.587
LEU176
4.032
|
|||||
| Ligand Name: Sgk1-IN-3 | Ligand Info | |||||
| Structure Description | Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3a | PDB:7PUE | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | Yes | [2] |
| PDB Sequence |
QINLGPSSNP
91 HAKPSDFHFL101 KVIGKGGKVL113 LARHKAEEVF123 YAVKVLQKKA133 IVLLKNVKHP 157 FLVGLHFSFQ167 TADKLYFVLD177 YINGGELFYH187 LQREACFLEP197 RARFYAAEIA 207 SALGYLHSLN217 IVYRDLKPEN227 ILLDSQGHIV237 LTDFGLCKTS255 TFCGTPEYLA 265 PEVLHKQPYD275 RTVDWWCLGA285 VLYEMLYGLP295 PFYSRNTAEM305 YDNILNKPLQ 315 LKPNITNSAR325 HLLEGLLQKD335 RTKRLGAKDD345 FMEIKSHVFF355 SLINWDDLIN 365 KKITPPFNPN375 V
|
|||||
|
|
ILE104
3.316
GLY105
3.707
VAL112
3.903
ALA125
3.386
LYS127
3.174
LYS152
4.133
VAL160
3.719
LEU162
3.739
PHE174
3.456
LEU176
3.535
ASP177
2.610
TYR178
3.435
|
|||||
| Ligand Name: 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 1 | PDB:3HDM | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
QQINLGPSSN
90 PHAKPSDFHF100 LKVIGKGSFG110 KVLLARHKAE120 EVFYAVKVLQ130 KKAILVLLKN 153 VKHPFLVGLH163 FSFQTADKLY173 FVLDYINGGE183 LFYHLQRERC193 FLEPRARFYA 203 AEIASALGYL213 HSLNIVYRDL223 KPENILLDSQ233 GHIVLTDFGL243 CKENIEHNST 253 TSTFCGTPEY263 LAPEVLHKQP273 YDRTVDWWCL283 GAVLYEMLYG293 LPPFYSRNTA 303 EMYDNILNKP313 LQLKPNITNS323 ARHLLEGLLQ333 KDRTKRLGAK343 DDFMEIKSHV 353 FFSLINWDDL363 INKKITPPFN373 PNVSG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MMG or .MMG2 or .MMG3 or :3MMG;style chemicals stick;color identity;select .A:104 or .A:106 or .A:107 or .A:112 or .A:125 or .A:127 or .A:160 or .A:176 or .A:177 or .A:178 or .A:179 or .A:183 or .A:229 or .A:239 or .A:241; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-(5-Naphthalen-2-Yl-1h-Pyrrolo[2,3-B]pyridin-3-Yl)phenyl]acetic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2 | PDB:3HDN | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
QINLGPSSNP
91 HAKPSDFHFL101 KVIGKGSFGK111 VLLARHKAEE121 VFYAVKVLQK131 KAILVLLKNV 154 KHPFLVGLHF164 SFQTADKLYF174 VLDYINGGEL184 FYHLQRERCF194 LEPRARFYAA 204 EIASALGYLH214 SLNIVYRDLK224 PENILLDSQG234 HIVLTDFGLC244 KENIEHNSTT 254 STFCGTPEYL264 APEVLHKQPY274 DRTVDWWCLG284 AVLYEMLYGL294 PPFYSRNTAE 304 MYDNILNKPL314 QLKPNITNSA324 RHLLEGLLQK334 DRTKRLGAKD344 DFMEIKSHVF 354 FSLINWDDLI364 NKKITPPFNP374
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GMG or .GMG2 or .GMG3 or :3GMG;style chemicals stick;color identity;select .A:104 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:112 or .A:125 or .A:127 or .A:160 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:182 or .A:183 or .A:226 or .A:227 or .A:229 or .A:239; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE104
3.392
GLY105
4.029
LYS106
4.330
GLY107
3.350
SER108
3.627
PHE109
3.995
GLY110
4.247
VAL112
3.547
ALA125
3.478
LYS127
3.048
VAL160
4.407
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP. Protein Sci. 2007 Dec;16(12):2761-9. | ||||
| REF 2 | Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis. J Med Chem. 2022 Jan 27;65(2):1567-1584. | ||||
| REF 3 | Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4441-5. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.