Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T00645 | Target Info | |||
| Target Name | HUMAN protein kinase cAMP-activated catalytic subunit alpha (PRKACA) | ||||
| Synonyms | PKA C-alpha; cAMP-dependent protein kinase catalytic subunit alpha | ||||
| Gene Name | PRKACA | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| 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 | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3OVV Human cAMP-dependent protein kinase in complex with an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [1] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVINEKCGK345 EFSEF
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| PDB ID: 3POO human cAMP-dependent protein kinase in complex with an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFDTSNFD 328 DYEEEEIRVI339 NEKCGKEFSE349 F
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| PDB ID: 6QJ7 Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1) | ||||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [3] |
| PDB Sequence |
ESVKEFLAKA
22 KEDFLKKWES32 PAQNTAHLDQ42 FERIKTLGTG52 SFGRVMLVKH62 KETGNHYAMK 72 ILDKQKVVKL82 KQIEHTLNEK92 RILQAVNFPF102 LVKLEFSFKD112 NSNLYMVMEY 122 VPGGEMFSHL132 RRIGRFSEPH142 ARFYAAQIVL152 TFEYLHSLDL162 IYRDLKPENL 172 LIDQQGYIQV182 TDFGFAKRVK192 GRTWLCGTPE203 YLAPEIILSK213 GYNKAVDWWA 223 LGVLIYEMAA233 GYPPFFADQP243 IQIYEKIVSG253 KVRFPSHFSS263 DLKDLLRNLL 273 QVDLTKRFGN283 LKNGVNDIKN293 HKWFATTDWI303 AIYQRKVEAP313 FIPKFKGPGD 323 TSNFDDYEEE333 EIRVINEKCG344 KEFSEF
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| PDB ID: 3AMA Protein kinase A sixfold mutant model of Aurora B with inhibitor JNJ-7706621 | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [4] |
| PDB Sequence |
GNAAAAKKGE
11 QESVKEFLAK21 AKEDFLKKWE31 SPAQNTAHLD41 QFERIRTLGT51 GSFGRVMLVK 61 HKETGNHYAM71 KILDKQKVVK81 LKQIEHTLNE91 KRIQQAVNFP101 FLVKLEFSFK 111 DNSNLYMVLE121 YAPGGEMFSH131 LRRIGRFSEP141 HARFYAAQIV151 LTFEYLHSLD 161 LIYRDLKPEN171 LLIDQQGYIK181 VADFGFAKRV191 KGRTWLCGTP202 EYLAPEIILS 212 KGYNKAVDWW222 ALGVLIYEMA232 AGYPPFFADQ242 PIQIYEKIVS252 GKVRFPSHFS 262 SDLKDLLRNL272 LQVDLTKRFG282 NLKNGVNDIK292 NHKWFATTDW302 IAIYQRKVEA 312 PFIPKFKSNF327 DDYEEEEIRV337 INEKCGKEFS348 EF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UJ1 Protein Kinase A in complex with an Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [5] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVINEKCGK345 EFSEF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5IZJ Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [6] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFNFDDYE 331 EEEIRVINEK342 CGKEFSEF
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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:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UJ9 Protein Kinase A in complex with an Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [5] |
| PDB Sequence |
SEQESVKEFL
19 AKAKEDFLKK29 WESPAQNTAH39 LDQFERIKTL49 GTGSFGRVML59 VKHKETGNHY 69 AMKILDKQKV79 VKLKQIEHTL89 NEKRILQAVN99 FPFLVKLEFS109 FKDNSNLYMV 119 MEYVPGGEMF129 SHLRRIGRFS139 EPHARFYAAQ149 IVLTFEYLHS159 LDLIYRDLKP 169 ENLLIDQQGY179 IQVTDFGFAK189 RVKGRTWLCG200 TPEYLAPEII210 LSKGYNKAVD 220 WWALGVLIYE230 MAAGYPPFFA240 DQPIQIYEKI250 VSGKVRFPSH260 FSSDLKDLLR 270 NLLQVDLTKR280 FGNLKNGVND290 IKNHKWFATT300 DWIAIYQRKV310 EAPFIPKFKG 320 PGDTSNFDDY330 EEEEIRVINE341 KCGKEFSEF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3OWP Human cAMP-dependent protein kinase in complex with an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [7] |
| PDB Sequence |
VKEFLAKAKE
24 DFLKKWESPA34 QNTAHLDQFE44 RIKTLGTGSF54 GRVMLVKHKE64 TGNHYAMKIL 74 DKQKVVKLKQ84 IEHTLNEKRI94 LQAVNFPFLV104 KLEFSFKDNS114 NLYMVMEYVP 124 GGEMFSHLRR134 IGRFSEPHAR144 FYAAQIVLTF154 EYLHSLDLIY164 RDLKPENLLI 174 DQQGYIQVTD184 FGFAKRVKGR194 TWLCGTPEYL205 APEIILSKGY215 NKAVDWWALG 225 VLIYEMAAGY235 PPFFADQPIQ245 IYEKIVSGKV255 RFPSHFSSDL265 KDLLRNLLQV 275 DLTKRFGNLK285 NGVNDIKNHK295 WFATTDWIAI305 YQRKVEAPFI315 PKFKGPGDTS 325 NFDDYEEEEI335 RVINEKCGKE346 FSEF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6FRX PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [8] |
| PDB Sequence |
QESVKEFLAK
21 AKEDFLKKWE31 SPAQNTAHLD41 QFERIRTLGT51 GSFGRVMLVK61 HKETGNHYAM 71 KILDKQKVVK81 LKQIEHTLNE91 KRIQQAVNFP101 FLVKLEFSFK111 DNSNLYMVLE 121 YAPGGEMFSH131 LRRIGRFEPH142 ARFYAAQIVL152 TFEYLHSLDL162 IYRDLKPENL 172 LIDQQGYIKV182 ADFGFAKRVK192 GRTWLCGTPE203 YLAPEIILSK213 GYNKAVDWWA 223 LGVLIYEMAA233 GYPPFFADQP243 IQIYEKIVSG253 KVRFPSHFSS263 DLKDLLRNLL 273 QVDLTKRFGN283 LKNGVNDIKN293 HKWFATTDWI303 AIYQRKVEAP313 FIPKFKSNFD 328 DYEEEEIRVI339 NEKCGKEFSE349 F
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5BX6 PKA in complex with a halogenated phthalazinone fragment compound. | ||||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [9] |
| PDB Sequence |
AAKKGEQESV
15 KEFLAKAKED25 FLKKWESPAQ35 NTAHLDQFER45 IKTLGTGSFG55 RVMLVKHKET 65 GNHYAMKILD75 KQKVVKLKQI85 EHTLNEKRIL95 QAVNFPFLVK105 LEFSFKDNSN 115 LYMVMEYVPG125 GEMFSHLRRI135 GRFSEPHARF145 YAAQIVLTFE155 YLHSLDLIYR 165 DLKPENLLID175 QQGYIQVTDF185 GFAKRVKGRT195 WLCGTPEYLA206 PEIILSKGYN 216 KAVDWWALGV226 LIYEMAAGYP236 PFFADQPIQI246 YEKIVSGKVR256 FPSHFSSDLK 266 DLLRNLLQVD276 LTKRFGNLKN286 GVNDIKNHKW296 FATTDWIAIY306 QRKVEAPFIP 316 KFKGPGDTSN326 FDDYEEEEIR336 VINEKCGKEF347 SEF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5BX7 PKA in complex with a benzothiophene fragment compound. | ||||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [10] |
| PDB Sequence |
AAKKGEQESV
15 KEFLAKAKED25 FLKKWESPAQ35 NTAHLDQFER45 IKTLGTGSFG55 RVMLVKHKET 65 GNHYAMKILD75 KQKVVKLKQI85 EHTLNEKRIL95 QAVNFPFLVK105 LEFSFKDNSN 115 LYMVMEYVPG125 GEMFSHLRRI135 GRFSEPHARF145 YAAQIVLTFE155 YLHSLDLIYR 165 DLKPENLLID175 QQGYIQVTDF185 GFAKRVKGRT195 WLCGTPEYLA206 PEIILSKGYN 216 KAVDWWALGV226 LIYEMAAGYP236 PFFADQPIQI246 YEKIVSGKVR256 FPSHFSSDLK 266 DLLRNLLQVD276 LTKRFGNLKN286 GVNDIKNHKW296 FATTDWIAIY306 QRKVEAPFIP 316 KFKGPGDTSN326 FDDYEEEEIR336 VINEKCGKEF347 SEF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3L9M Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [11] |
| PDB Sequence |
EQESVKEFLA
20 KAKEDFLKKW30 ESPAQNTAHL40 DQFERIKTLG50 TGSFGRVMLV60 KHKETGNHYA 70 MKILDKQKVV80 KLKQIEHTLN90 EKRILQAVNF100 PFLVKLEFSF110 KDNSNLYMVM 120 EYAPGGEMFS130 HLRRIGRFSE140 PHARFYAAQI150 VLTFEYLHSL160 DLIYRDLKPE 170 NLMIDQQGYI180 KVTDFGFAKR190 VKGRTWLCGT201 PEYLAPEIIL211 SKGYNKAVDW 221 WALGVLIYEM231 AAGYPPFFAD241 QPIQIYEKIV251 SGKVRFPSHF261 SSDLKDLLRN 271 LLQVDLTKRF281 GNLKNGVNDI291 KNHKWFATTD301 WIAIYQRKVE311 APFIPKFKGP 321 GDTSNFDDYE331 EEEIRVINEK342 CGKEFSEF
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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:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UJA Protein Kinase A in complex with an Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [5] |
| PDB Sequence |
ESVKEFLAKA
22 KEDFLKKWES32 PAQNTAHLDQ42 FERIKTLGTG52 SFGRVMLVKH62 KETGNHYAMK 72 ILDKQKVVKL82 KQIEHTLNEK92 RILQAVNFPF102 LVKLEFSFKD112 NSNLYMVMEY 122 VPGGEMFSHL132 RRIGRFSEPH142 ARFYAAQIVL152 TFEYLHSLDL162 IYRDLKPENL 172 LIDQQGYIQV182 TDFGFAKRVK192 GRTWLCGTPE203 YLAPEIILSK213 GYNKAVDWWA 223 LGVLIYEMAA233 GYPPFFADQP243 IQIYEKIVSG253 KVRFPSHFSS263 DLKDLLRNLL 273 QVDLTKRFGN283 LKNGVNDIKN293 HKWFATTDWI303 AIYQRKVEAP313 FIPKFKGPGD 323 TSNFDDYEEE333 EIRVINEKCG344 KEFSEF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3VQH Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [12] |
| PDB Sequence |
AAAKKGEQES
14 VKEFLAKAKE24 DFLKKWESPA34 QNTAHLDQFE44 RIKTLGTGSF54 GRVMLVKHKE 64 TGNHYAMKIL74 DKQKVVKLKQ84 IEHTLNEKRI94 LQAVNFPFLV104 KLEFSFKDNS 114 NLYMVMEYVP124 GGEMFSHLRR134 IGRFSEPHAR144 FYAAQIVLTF154 EYLHSLDLIY 164 RDLKPENLLI174 DQQGYIQVTD184 FGFAKRVKGR194 TWLCGTPEYL205 APEIILSKGY 215 NKAVDWWALG225 VLIYEMAAGY235 PPFFADQPIQ245 IYEKIVSGKV255 RFPSHFSSDL 265 KDLLRNLLQV275 DLTKRFGNLK285 NGVNDIKNHK295 WFATTDWIAI305 YQRKVEAPFI 315 PKFKGPGDTS325 NFDDYEEEEI335 RVINEKCGKE346 FSEF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4UJB Protein Kinase A in complex with an Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [5] |
| PDB Sequence |
AAAKKGEQES
14 VKEFLAKAKE24 DFLKKWESPA34 QNTAHLDQFE44 RIKTLGTGSF54 GRVMLVKHKE 64 TGNHYAMKIL74 DKQKVVKLKQ84 IEHTLNEKRI94 LQAVNFPFLV104 KLEFSFKDNS 114 NLYMVMEYVP124 GGEMFSHLRR134 IGRFSEPHAR144 FYAAQIVLTF154 EYLHSLDLIY 164 RDLKPENLLI174 DQQGYIQVTD184 FGFAKRVKGR194 TWLCGTPEYL205 APEIILSKGY 215 NKAVDWWALG225 VLIYEMAAGY235 PPFFADQPIQ245 IYEKIVSGKV255 RFPSHFSSDL 265 KDLLRNLLQV275 DLTKRFGNLK285 NGVNDIKNHK295 WFATTDWIAI305 YQRKVEAPFI 315 PKFKGPGDTS325 NFDDYEEEEI335 RVINEKCGKE346 FSEF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3L9L Crystal structure of pka with compound 36 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [11] |
| PDB Sequence |
EQESVKEFLA
20 KAKEDFLKKW30 ESPAQNTAHL40 DQFERIKTLG50 TGSFGRVMLV60 KHKETGNHYA 70 MKILDKQKVV80 KLKQIEHTLN90 EKRILQAVNF100 PFLVKLEFSF110 KDNSNLYMVM 120 EYVPGGEMFS130 HLRRIGRFSE140 PHARFYAAQI150 VLTFEYLHSL160 DLIYRDLKPE 170 NLLIDQQGYI180 QVTDFGFAKR190 VKGRTWLCGT201 PEYLAPEIIL211 SKGYNKAVDW 221 WALGVLIYEM231 AAGYPPFFAD241 QPIQIYEKIV251 SGKVRFPSHF261 SSDLKDLLRN 271 LLQVDLTKRF281 GNLKNGVNDI291 KNHKWFATTD301 WIAIYQRKVE311 APFIPKFKGP 321 GDTSNFDDYE331 EEEIRVINEK342 CGKEFSEF
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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:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3L9N crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [11] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYA 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLM 173 IDQQGYIKVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPGPGDTSNF 327 DDYEEEEIRV337 INEKCGKEFS348 EF
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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:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3OOG human cAMP-dependent protein kinase in complex with a small fragment | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [13] |
| PDB Sequence |
KEFLAKAKED
25 FLKKWESPAQ35 NTAHLDQFER45 IKTLGTGSFG55 RVMLVKHKET65 GNHYAMKILD 75 KQKVVKLKQI85 EHTLNEKRIL95 QAVNFPFLVK105 LEFSFKDNSN115 LYMVMEYVPG 125 GEMFSHLRRI135 GRFSEPHARF145 YAAQIVLTFE155 YLHSLDLIYR165 DLKPENLLID 175 QQGYIQVTDF185 GFAKRVKGRT195 WLCGTPEYLA206 PEIILSKGYN216 KAVDWWALGV 226 LIYEMAAGYP236 PFFADQPIQI246 YEKIVSGKVR256 FPSHFSSDLK266 DLLRNLLQVD 276 LTKRFGNLKN286 GVNDIKNHKW296 FATTDWIAIY306 QRKVEAPFIP316 KFKGPGDTSN 326 FDDYEEEEIR336 VINEKCGKEF347 SEF
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 4UJ2 Protein Kinase A in complex with an Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [5] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVINEKCGK345 EFSEF
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3P0M Human cAMP-dependent protein kinase in complex with an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [14] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVINEKCGK345 EFSEF
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3AGL Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
EQESVKEFLA
20 KAKEDFLKKW30 ESPAQNTAHL40 DQFERIKTLG50 TGSFGRVMLV60 KHKETGNHYA 70 MKILDKQKVV80 KLKQIEHTLN90 EKRILQAVNF100 PFLVKLEFSF110 KDNSNLYMVM 120 EYVPGGEMFS130 HLRRIGRFSE140 PHARFYAAQI150 VLTFEYLHSL160 DLIYRDLKPE 170 NLLIDQQGYI180 QVTDFGFAKR190 VKGRTWLCGT201 PEYLAPEIIL211 SKGYNKAVDW 221 WALGVLIYEM231 AAGYPPFFAD241 QPIQIYEKIV251 SGKVRFPSHF261 SSDLKDLLRN 271 LLQVDLTKRF281 GNLKNGVNDI291 KNHKWFATTD301 WIAIYQRKVE311 APFIPKFKGP 321 GDTSNFDDYE331 EEEIRVINEK342 CGKEFSEF
|
|||||
|
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:86 or .A:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3OXT Human cAMP-dependent protein kinase in complex with an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [16] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVINEKCGK345 EFSEF
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3AMB Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [4] |
| PDB Sequence |
AAAAKKGEQE
13 SVKEFLAKAK23 EDFLKKWESP33 AQNTAHLDQF43 ERIRTLGTGS53 FGRVMLVKHK 63 ETGNHYAMKI73 LDKQKVVKLK83 QIEHTLNEKR93 IQQAVNFPFL103 VKLEFSFKDN 113 SNLYMVLEYA123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI 163 YRDLKPENLL173 IDQQGYIKVA183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG 214 YNKAVDWWAL224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD 264 LKDLLRNLLQ274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF 314 IPKFKSNFDD329 YEEEEIRVIN340 EKCGKEFSEF350
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5UZK Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [17] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVINEKCGK345 EFSEF
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 7Y1G Crystal structure of human PRKACA complexed with DS01080522 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [18] |
| PDB Sequence |
VKEFLAKAKE
24 DFLKKWESPA34 QNTAHLDQFE44 RIKTLGTGSF54 GRVMLVKHKE64 TGNHYAMKIL 74 DKQKVVKLKQ84 IEHTLNEKRI94 LQAVNFPFLV104 KLEFSFKDNS114 NLYMVMEYVP 124 GGEMFSHLRR134 IGRFSEPHAR144 FYAAQIVLTF154 EYLHSLDLIY164 RDLKPENLLI 174 DQQGYIQVTD184 FGFAKRVKGR194 TWLCGTPEYL205 APEIILSKGY215 NKAVDWWALG 225 VLIYEMAAGY235 PPFFADQPIQ245 IYEKIVSGKV255 RFPSHFSSDL265 KDLLRNLLQV 275 DLTKRFGNLK285 NGVNDIKNHK295 WFATTDWIAI305 YQRKVEAPFI315 PKFKGPGDTS 325 NFDDYEEEEI335 RVINEKCGKE346 FSEF
|
|||||
|
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:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5J5X Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [6] |
| PDB Sequence |
GSEQESVKEF
18 LAKAKEDFLK28 KWESPAQNTA38 HLDQFERIKT48 LGTGSFGRVM58 LVKHKETGNH 68 YAMKILDKQK78 VVKLKQIEHT88 LNEKRILQAV98 NFPFLVKLEF108 SFKDNSNLYM 118 VMEYVPGGEM128 FSHLRRIGRF138 SEPHARFYAA148 QIVLTFEYLH158 SLDLIYRDLK 168 PENLLIDQQG178 YIQVTDFGFA188 KRVKGRTWLC199 GTPEYLAPEI209 ILSKGYNKAV 219 DWWALGVLIY229 EMAAGYPPFF239 ADQPIQIYEK249 IVSGKVRFPS259 HFSSDLKDLL 269 RNLLQVDLTK279 RFGNLKNGVN289 DIKNHKWFAT299 TDWIAIYQRK309 VEAPFIPKFK 319 GPGDTSNFDD329 YEEEEIRVIN340 EKCGKEFSEF350
|
|||||
|
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:86 or .A:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4WB5 Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit) | ||||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [19] |
| PDB Sequence |
ESVKEFLAKA
22 KEDFLKKWES32 PAQNTAHLDQ42 FERIKTLGTG52 SFGRVMLVKH62 KETGNHYAMK 72 ILDKQKVVKL82 KQIEHTLNEK92 RILQAVNFPF102 LVKLEFSFKD112 NSNLYMVMEY 122 VPGGEMFSHL132 RRIGRFEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVINEKCGK345 EFSEF
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 5N23 Protein kinase A mutants as surrogate model for Aurora B with AT9283 inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | Yes | [20] |
| PDB Sequence |
KGEQESVKEF
18 LAKAKEDFLK28 KWESPAQNTA38 HLDQFERIRT48 LGTGSFGRVM58 LVKHKETGNH 68 YAMKILDKQK78 VVKLKQIEHT88 LNEKRIQQAV98 NFPFLVKLEF108 SFKDNSNLYM 118 VLEYAPGGEM128 FSHLRRIGRF138 EPHARFYAAQ149 IVLTFEYLHS159 LDLIYRDLKP 169 ENLLIDQQGY179 IKVADFGFAK189 RVKGRTWLCG200 TPEYLAPEII210 LSKGYNKAVD 220 WWALGVLIYE230 MAAGYPPFFA240 DQPIQIYEKI250 VSGKVRFPSH260 FSSDLKDLLR 270 NLLQVDLTKR280 FGNLKNGVND290 IKNHKWFATT300 DWIAIYQRKV310 EAPFIPKFSN 326 FDDYEEEEIR336 VINEKCGKEF347 SEF
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4WB6 Crystal structure of a L205R mutant of human cAMP-dependent protein kinase A (catalytic alpha subunit) | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [19] |
| PDB Sequence |
> Chain A
ESVKEFLAKA 22 KEDFLKKWES32 PAQNTAHLDQ42 FERIKTLGTG52 SFGRVMLVKH62 KETGNHYAMK 72 ILDKQKVVKL82 KQIEHTLNEK92 RILQAVNFPF102 LVKLEFSFKD112 NSNLYMVMEY 122 VPGGEMFSHL132 RRIGRFEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDQQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 RAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVSINEKCG344 KEFSEF> Chain B KGEQESVKEF 18 LAKAKEDFLK28 KWESPAQNTA38 HLDQFERIKT48 LGTGSFGRVM58 LVKHKETGNH 68 YAMKILDKQK78 VVKLKQIEHT88 LNEKRILQAV98 NFPFLVKLEF108 SFKDNSNLYM 118 VMEYVPGGEM128 FSHLRRIGRF138 SEPHARFYAA148 QIVLTFEYLH158 SLDLIYRDLK 168 PENLLIDQQG178 YIQVTDFGFA188 KRVKGRTWLC199 GTPEYRAPEI209 ILSKGYNKAV 219 DWWALGVLIY229 EMAAGYPPFF239 ADQPIQIYEK249 IVSGKVRFPS259 HFSSDLKDLL 269 RNLLQVDLTK279 RFGNLKNGVN289 DIKNHKWFAT299 TDWIAIYQRK309 VEAPFIPKFK 319 GPGDTSNFDD329 YEEEEIRVIN340 EKCGKEFSEF350
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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:86 or .A:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215 or .B:86 or .B:87 or .B:165 or .B:189 or .B:195 or .B:196 or .B:198 or .B:199 or .B:209 or .B:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU86[A]
4.077
HIS87[A]
2.637
ARG165[A]
2.828
LYS189[A]
2.910
THR195[A]
2.279
TRP196[A]
1.327
LEU198[A]
1.329
CYS199[A]
3.078
ILE209[A]
4.005
TYR215[A]
2.529
|
|||||
| PDB ID: 6NO7 Crystal Structure of the full-length wild-type PKA RIa Holoenzyme | ||||||
| Method | X-ray diffraction | Resolution | 3.55 Å | Mutation | No | [21] |
| PDB Sequence |
VKEFLAKAKE
24 DFLKKWESPA34 QNTAHLDQFE44 RIKTLGTGSF54 GRVMLVKHKE64 TGNHYAMKIL 74 DKQKVVKLKQ84 IEHTLNEKRI94 LQAVNFPFLV104 KLEFSFKDNS114 NLYMVMEYVP 124 GGEMFSHLRR134 IGRFEPHARF145 YAAQIVLTFE155 YLHSLDLIYR165 DLKPENLLID 175 QQGYIQVTDF185 GFAKRVKGRT195 WLCGTPEYLA206 PEIILSKGYN216 KAVDWWALGV 226 LIYEMAAGYP236 PFFADQPIQI246 YEKIVSGKVR256 FPSHFSSDLK266 DLLRNLLQVD 276 LTKRFGNLKN286 GVNDIKNHKW296 FATTDWIAIY306 QRKVEAPFIP316 KFKGPGDTSN 326 FDDYEEEEIR336 VINEKCGKEF347 SEF
|
|||||
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6C0U Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [22] |
| PDB Sequence |
EQESVKEFLA
20 KAKEDFLKKW30 ESPAQNTAHL40 DQFERIKTLG50 TGSFGRVMLV60 KHKETGNHYA 70 MKILDKQKVV80 KLKQIEHTLN90 EKRILQAVNF100 PFLVKLEFSF110 KDNSNLYMVM 120 EYVPGGEMFS130 HLRRIGRFSE140 PHARFYAAQI150 VLTFEYLHSL160 DLIYRDLKPE 170 NLLIDQQGYI180 QVTDFGFAKR190 VKGRTWLCGT201 PEYLAPEIIL211 SKGYNKAVDW 221 WALGVLIYEM231 AAGYPPFFAD241 QPIQIYEKIV251 SGKVRFPSHF261 SSDLKDLLRN 271 LLQVDLTKRF281 GNLKNGVNDI291 KNHKWFATTD301 WIAIYQRKVE311 APFIPKFKGP 321 GDTSNFDDYE331 EEEIRVINEK342 CGKEFSEF
|
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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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4WB8 Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit), exon 1 deletion | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [19] |
| PDB Sequence |
GVKEFLAKAK
23 EDFLKKWESP33 AQNTAHLDQF43 ERIKTLGTGS53 FGRVMLVKHK63 ETGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 PGGEMFSHLR133 RIGRFEPHAR144 FYAAQIVLTF154 EYLHSLDLIY164 RDLKPENLLI 174 DQQGYIQVTD184 FGFAKRVKGR194 TWLCGTPEYL205 APEIILSKGY215 NKAVDWWALG 225 VLIYEMAAGY235 PPFFADQPIQ245 IYEKIVSGKV255 RFPSHFSSDL265 KDLLRNLLQV 275 DLTKRFGNLK285 NGVNDIKNHK295 WFATTDWIAI305 YQRKVEAPFI315 PKFKGPGDTS 325 NFDDYEEEEI335 RVINEKCGKE346 FSEF
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2GU8 Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [23] |
| PDB Sequence |
SVKEFLAKAK
23 EDFLKKWETP33 SQNTAQLDQF43 DRIKTLGTGS53 FGRVMLVKHK63 ESGNHYAMKI 73 LDKQKVVKLK83 QIEHTLNEKR93 ILQAVNFPFL103 VKLEFSFKDN113 SNLYMVMEYV 123 AGGEMFSHLR133 RIGRFSEPHA143 RFYAAQIVLT153 FEYLHSLDLI163 YRDLKPENLL 173 IDEQGYIQVT183 DFGFAKRVKG193 RTWLCGTPEY204 LAPEIILSKG214 YNKAVDWWAL 224 GVLIYEMAAG234 YPPFFADQPI244 QIYEKIVSGK254 VRFPSHFSSD264 LKDLLRNLLQ 274 VDLTKRFGNL284 KNGVNDIKNH294 KWFATTDWIA304 IYQRKVEAPF314 IPKFKGPGDT 324 SNFDDYEEEE334 IRVINEKCGK345 EFTEF
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3MVJ Human cyclic AMP-dependent protein kinase PKA inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [24] |
| PDB Sequence |
VKEFLAKAKE
24 DFLKKWESPA34 QNTAHLDQFE44 RIKTLGTGSF54 GRVMLVKHKE64 TGNHYAMKIL 74 DKQKVVKLKQ84 IEHTLNEKRI94 LQAVNFPFLV104 KLEFSFKDNS114 NLYMVMEYVP 124 GGEMFSHLRR134 IGRFSEPHAR144 FYAAQIVLTF154 EYLHSLDLIY164 RDLKPENLLI 174 DQQGYIQVTD184 FGFAKRVKGR194 TWLCGTPEYL205 APEIILSKGY215 NKAVDWWALG 225 VLIYEMAAGY235 PPFFADQPIQ245 IYEKIVSGKV255 RFPSHFSSDL265 KDLLRNLLQV 275 DLTKRFGNLK285 NGVNDIKNHK295 WFATTDWIAI305 YQRKVEAPFI315 PKFKGPGDTS 325 NFDDYEEEEI335 RVINEKCGKE346 FSEF
|
|||||
|
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:87 or .A:165 or .A:189 or .A:195 or .A:196 or .A:198 or .A:199 or .A:209 or .A:215; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4WB7 Crystal structure of a chimeric fusion of human DnaJ (Hsp40) and cAMP-dependent protein kinase A (catalytic alpha subunit) | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [19] |
| PDB Sequence |
GKDYYQTLGL
10 ARGASDEEIK20 RAYRRQALRY30 HPDKNKEPGA40 EEKFKEIAEA50 YDVLSDPRKR 60 EIFDRYGEEV70 KEFLAKAKED80 FLKKWESPAQ90 NTAHLDQFER100 IKTLGTGSFG 110 RVMLVKHKET120 GNHYAMKILD130 KQKVVKLKQI140 EHTLNEKRIL150 QAVNFPFLVK 160 LEFSFKDNSN170 LYMVMEYVPG180 GEMFSHLRRI190 GRFEPHARFY201 AAQIVLTFEY 211 LHSLDLIYRD221 LKPENLLIDQ231 QGYIQVTDFG241 FAKRVKGRTW251 LCGTPEYLAP 262 EIILSKGYNK272 AVDWWALGVL282 IYEMAAGYPP292 FFADQPIQIY302 EKIVSGKVRF 312 PSHFSSDLKD322 LLRNLLQVDL332 TKRFGNLKNG342 VNDIKNHKWF352 ATTDWIAIYQ 362 RKVEAPFIPK372 FKGPGDTSNF382 DDYEEEEIRV392 INEKCGKEFS403 EF |
|||||
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 6BYR Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha | ||||||
| Method | X-ray diffraction | Resolution | 3.66 Å | Mutation | No | [25] |
| PDB Sequence |
GKDYYQTLGL
10 ARGASDEEIK20 RAYRRQALRY30 HPDKNKEPGA40 EEKFKEIAEA50 YDVLSDPRKR 60 EIFDRYGEEV70 KEFLAKAKED80 FLKKWESPAQ90 NTAHLDQFER100 IKTLGTGSFG 110 RVMLVKHKET120 GNHYAMKILD130 KQKVVKLKQI140 EHTLNEKRIL150 QAVNFPFLVK 160 LEFSFKDNSN170 LYMVMEYVPG180 GEMFSHLRRI190 GRFEPHARFY201 AAQIVLTFEY 211 LHSLDLIYRD221 LKPENLLIDQ231 QGYIQVTDFG241 FAKRVKGRTW251 LCGTPEYLAP 262 EIILSKGYNK272 AVDWWALGVL282 IYEMAAGYPP292 FFADQPIQIY302 EKIVSGKVRF 312 PSHFSSDLKD322 LLRNLLQVDL332 TKRFGNLKNG342 VNDIKNHKWF352 ATTDWIAIYQ 362 RKVEAPFIPK372 FKGPGDTSNF382 DDYEEEEIRV392 INEKCGKEFS403 EF |
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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:142 or .A:220 or .A:244 or .A:250 or .A:251 or .A:253 or .A:254 or .A:270; 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 | fragment based drug design on PKA | ||||
| REF 2 | fragment based drug design on PKA | ||||
| REF 3 | Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1) | ||||
| REF 4 | Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase. Biochem J. 2011 Nov 15;440(1):85-93. | ||||
| REF 5 | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic. Chemistry. 2016 Jan 4;22(1):211-21. | ||||
| REF 6 | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. Bioconjug Chem. 2016 Aug 17;27(8):1900-10. | ||||
| REF 7 | fragment based drug design on PKA | ||||
| REF 8 | PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor | ||||
| REF 9 | PKA based studies of ligand interactions with a methionine gatekeeper. | ||||
| REF 10 | PKA based studies of ligand interactions with a methionine gatekeeper. | ||||
| REF 11 | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1559-64. | ||||
| REF 12 | Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012 Aug 1;68(Pt 8):873-7. | ||||
| REF 13 | Fragment based drug design on human PKA | ||||
| REF 14 | Fragment based drug design on PKA | ||||
| REF 15 | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions. J Mol Biol. 2010 Oct 15;403(1):66-77. | ||||
| REF 16 | Fragment based drug design on PKA | ||||
| REF 17 | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors. Bioorg Med Chem Lett. 2018 Aug 15;28(15):2622-2626. | ||||
| REF 18 | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model. Biochem Biophys Res Commun. 2022 Sep 17;621:157-161. | ||||
| REF 19 | Structural insights into mis-regulation of protein kinase A in human tumors. Proc Natl Acad Sci U S A. 2015 Feb 3;112(5):1374-9. | ||||
| REF 20 | Inhibitor induced structural effects involving Phe327 in AGC kinases | ||||
| REF 21 | Two PKA RIAlpha holoenzyme states define ATP as an isoform-specific orthosteric inhibitor that competes with the allosteric activator, cAMP. Proc Natl Acad Sci U S A. 2019 Aug 13;116(33):16347-16356. | ||||
| REF 22 | Structural basis for selective inhibition of human PKG IAlpha by the balanol-like compound N46. J Biol Chem. 2018 Jul 13;293(28):10985-10992. | ||||
| REF 23 | Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4163-8. | ||||
| REF 24 | Design of selective, ATP-competitive inhibitors of Akt. J Med Chem. 2010 Jun 24;53(12):4615-22. | ||||
| REF 25 | Structures of the PKA RIAlpha Holoenzyme with the FLHCC Driver J-PKAcAlpha or Wild-Type PKAcAlpha. Structure. 2019 May 7;27(5):816-828.e4. | ||||
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