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 | Adenosine triphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 5957 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| 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 | [1] |
| 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
|
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|
|
LEU49
3.857
GLY50
3.770
THR51
4.080
GLY52
3.215
SER53
2.838
PHE54
3.243
GLY55
2.952
VAL57
3.312
ALA70
3.430
LYS72
2.836
GLU91
4.798
VAL104
3.493
MET120
3.443
|
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| 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 | [1] |
| 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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|
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LEU49[A]
3.813
GLY50[A]
3.538
THR51[A]
3.796
GLY52[A]
3.222
SER53[A]
2.638
PHE54[A]
2.882
GLY55[A]
2.891
VAL57[A]
3.346
ALA70[A]
3.445
LYS72[A]
2.794
GLU91[A]
4.675
VAL104[A]
3.639
MET120[A]
3.452
GLU121[A]
2.975
TYR122[A]
3.954
VAL123[A]
3.280
GLU127[A]
2.506
ASP166[A]
3.465
LYS168[A]
2.916
GLU170[A]
2.882
ASN171[A]
3.183
LEU173[A]
3.365
THR183[A]
3.065
ASP184[A]
2.726
THR201[A]
4.830
PHE327[A]
3.559
LEU49[B]
3.856
GLY50[B]
3.580
THR51[B]
3.848
GLY52[B]
3.305
SER53[B]
2.786
PHE54[B]
2.870
GLY55[B]
2.900
VAL57[B]
3.146
ALA70[B]
3.395
LYS72[B]
2.822
GLU91[B]
4.616
VAL104[B]
3.596
MET120[B]
3.567
GLU121[B]
2.975
TYR122[B]
3.864
VAL123[B]
3.215
GLU127[B]
2.518
ASP166[B]
3.329
LYS168[B]
2.763
GLU170[B]
2.932
ASN171[B]
3.164
LEU173[B]
3.370
THR183[B]
3.055
ASP184[B]
2.738
THR201[B]
4.714
PHE327[B]
3.668
|
|||||
| 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 | [1] |
| 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
|
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|
|
LEU49
3.921
GLY50
3.561
THR51
3.810
GLY52
3.352
SER53
2.769
PHE54
2.904
GLY55
2.840
VAL57
3.236
ALA70
3.422
LYS72
2.823
GLU91
4.846
VAL104
3.582
MET120
3.483
|
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| 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 | [1] |
| 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 .ATP or .ATP2 or .ATP3 or :3ATP;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:146 or .A:159 or .A:175 or .A:176 or .A:177 or .A:178 or .A:182 or .A:221 or .A:223 or .A:225 or .A:226 or .A:228 or .A:238 or .A:239 or .A:242 or .A:256 or .A:382; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU104
3.830
GLY105
3.544
THR106
3.829
GLY107
3.276
SER108
2.839
PHE109
2.908
GLY110
2.831
VAL112
3.355
ALA125
3.443
LYS127
2.648
GLU146
4.714
VAL159
3.649
MET175
3.622
GLU176
2.967
|
|||||
| 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 | [2] |
| 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 .ATP or .ATP2 or .ATP3 or :3ATP;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:146 or .A:159 or .A:175 or .A:176 or .A:177 or .A:178 or .A:182 or .A:221 or .A:223 or .A:225 or .A:226 or .A:228 or .A:238 or .A:239 or .A:242 or .A:382; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU104
4.241
GLY105
3.281
THR106
4.331
GLY107
2.786
SER108
2.748
PHE109
3.255
GLY110
3.727
VAL112
3.414
ALA125
3.428
LYS127
2.766
GLU146
4.891
VAL159
4.216
MET175
3.174
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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 2 | 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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