Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94621 | Target Info | |||
| Target Name | RAC-beta serine/threonine-protein kinase (AKT2) | ||||
| Synonyms | RAC-PK-beta; Protein kinase B beta; Protein kinase Akt-2; PKB beta | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | AKT2 | ||||
| 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: 1O6L Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex with AMP-PNP and GSK3 peptide | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [1] |
| PDB Sequence |
KVTMNDFDYL
155 KLLGKGTFGK165 VILVREKATG175 RYYAMKILRK185 EVIIAKDEVA195 HTVTESRVLQ 205 NTRHPFLTAL215 KYAFQTHDRL225 CFVMEYANGG235 ELFFHLSRER245 VFTEERARFY 255 GAEIVSALEY265 LHSRDVVYRD275 IKLENLMLDK285 DGHIKITDFG295 LCKEGISDGA 305 TMKFCGTPEY316 LAPEVLEDND326 YGRAVDWWGL336 GVVMYEMMCG346 RLPFYNQDHE 356 RLFELILMEE366 IRFPRTLSPE376 AKSLLAGLLK386 KDPKQRLGGG396 PSDAKEVMEH 406 RFFLSINWQD416 VVQKKLLPPF426 KPQVTSEVDT436 RYFDDEFTAQ446 SITQEMFEDF 473 DYIADW
|
|||||
|
|
LEU158
3.925
GLY159
3.697
LYS160
4.762
GLY161
4.478
PHE163
4.877
GLY164
4.415
VAL166
3.357
ALA179
3.490
LYS181
2.830
GLU200
4.958
THR213
3.636
MET229
3.482
|
|||||
| PDB ID: 1O6K Structure of activated form of PKB kinase domain S474D with GSK3 peptide and AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
KVTMNDFDYL
155 KLLGKGTFGK165 VILVREKATG175 RYYAMKILRK185 EVIIAKDEVA195 HTVTESRVLQ 205 NTRHPFLTAL215 KYAFQTHDRL225 CFVMEYANGG235 ELFFHLSRER245 VFTEERARFY 255 GAEIVSALEY265 LHSRDVVYRD275 IKLENLMLDK285 DGHIKITDFG295 LCKEGISDGA 305 TMKFCGTPEY316 LAPEVLEDND326 YGRAVDWWGL336 GVVMYEMMCG346 RLPFYNQDHE 356 RLFELILMEE366 IRFPRTLSPE376 AKSLLAGLLK386 KDPKQRLGGG396 PSDAKEVMEH 406 RFFLSINWQD416 VVQKKLLPPF426 KPQVTSEVDT436 RYFDDEFTAQ446 SITQRTHFPQ 472 FDYSASI
|
|||||
|
|
LEU158
3.905
GLY159
3.677
LYS160
4.472
GLY161
3.678
THR162
4.529
PHE163
4.505
GLY164
4.321
VAL166
3.354
ALA179
3.536
LYS181
2.925
GLU200
4.934
THR213
3.611
MET229
3.477
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of an activated Akt/protein kinase B ternary complex with GSK3-peptide and AMP-PNP. Nat Struct Biol. 2002 Dec;9(12):940-4. | ||||
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