Target Binding Site Detail
Target General Information | Top | ||||
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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 | ||||
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Ligand Name | Phosphonothreonine | Ligand Info | |||
Canonical SMILES | CC(C(C(=O)O)N)OP(=O)(O)O | ||||
InChI | 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | ||||
InChIKey | USRGIUJOYOXOQJ-GBXIJSLDSA-N | ||||
PubChem Compound ID | 3246323 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 2JDO STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE | ||||||
Method | X-ray diffraction | Resolution | 1.80 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 SITMFEDFDY 475 IADW
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PDB ID: 2X39 Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB | ||||||
Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [2] |
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
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PDB ID: 2UW9 STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-chloro-phenyl)-4-(4-(1H-pyrazol-4-yl)-phenyl)-piperidine | ||||||
Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [3] |
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
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PDB ID: 2JDR STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH THE INHIBITOR A-443654 | ||||||
Method | X-ray diffraction | Resolution | 2.30 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
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:196 or .A:274 or .A:298 or .A:307 or .A:308 or .A:310 or .A:311 or .A:321 or .A:327; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 2XH5 Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB | ||||||
Method | X-ray diffraction | Resolution | 2.72 Å | Mutation | Yes | [2] |
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
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:274 or .A:298 or .A:307 or .A:308 or .A:310 or .A:311 or .A:321 or .A:327; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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 | [4] |
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
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:196 or .A:274 or .A:298 or .A:307 or .A:308 or .A:310 or .A:311 or .A:321 or .A:327; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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 | [4] |
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
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:196 or .A:274 or .A:298 or .A:307 or .A:308 or .A:310 or .A:311 or .A:321 or .A:327; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 3D0E Crystal structure of human Akt2 in complex with GSK690693 | ||||||
Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [5] |
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 SITIPPDQRT 468 HFPQFDYSAS478 IR
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:160 or .A:165 or .A:184 or .A:196 or .A:224 or .A:274 or .A:298 or .A:307 or .A:308 or .A:310 or .A:311 or .A:321 or .A:327 or .A:449 or .A:450 or .A:452 or .A:453; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 3E87 Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | ||||||
Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [6] |
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 SITIPPQRTH 469 FPQFDYSASI479 R
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:165 or .A:184 or .A:196 or .A:224 or .A:274 or .A:298 or .A:307 or .A:308 or .A:310 or .A:311 or .A:321 or .A:327 or .A:449 or .A:450 or .A:452 or .A:453; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 3E88 Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | ||||||
Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [6] |
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 SITIQRTHFP 471 QFDYSASIR
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:165 or .A:184 or .A:196 or .A:224 or .A:274 or .A:298 or .A:307 or .A:308 or .A:310 or .A:311 or .A:321 or .A:327 or .A:449 or .A:450; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PDB ID: 3E8D Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors | ||||||
Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [6] |
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 SITHFPQFDY 475 SASIR
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:196 or .A:274 or .A:298 or .A:307 or .A:308 or .A:310 or .A:311 or .A:327; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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References | Top | ||||
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REF 1 | A structural comparison of inhibitor binding to PKB, PKA and PKA-PKB chimera. J Mol Biol. 2007 Mar 30;367(3):882-94. | ||||
REF 2 | Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt). J Med Chem. 2010 Mar 11;53(5):2239-49. | ||||
REF 3 | Identification of inhibitors of protein kinase B using fragment-based lead discovery. J Med Chem. 2007 May 17;50(10):2293-6. | ||||
REF 4 | 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. | ||||
REF 5 | Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-o... J Med Chem. 2008 Sep 25;51(18):5663-79. | ||||
REF 6 | Aminofurazans as potent inhibitors of AKT kinase. Bioorg Med Chem Lett. 2009 Mar 1;19(5):1508-11. |
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