cAMP-dependent protein kinase catalytic subunit alpha
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 2–351 | Non-standard monomer：Yes (specific site not provided by mmCIF) | PKI (5-24) × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；10% PEG 8000, 0.1M HEPES pH 7.5 | Resolution 2.10 Å R-free 0.237 |
| 2 | Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain B； UniProt 2–351 | Non-standard monomer：Yes (specific site not provided by mmCIF) | PKI (5-24) × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；10% PEG 8000, 0.1M HEPES pH 7.5 | Resolution 2.10 Å R-free 0.237 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 4WB6 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 2GU8 Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies Deposited 2006-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
15–351（337 aa）
Fragment：catalytic subunit
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 796 N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å R-free 0.261 |
| 3AGL Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039 Deposited 2010-04-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A03 (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；80 mM Mes-BisTris, 75 mM LiCl, 1.5 mM octanoyl-N-methylglucamide; mixed 2:1 with and equilibrated against 40%(v/v) MPD, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.237 |
| 3AGL Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039 Deposited 2010-04-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A03 (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；80 mM Mes-BisTris, 75 mM LiCl, 1.5 mM octanoyl-N-methylglucamide; mixed 2:1 with and equilibrated against 40%(v/v) MPD, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.237 |
| 3AGM Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670 Deposited 2010-04-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25 mM Tris-HCl, 25 mM NaCl, 1.5 mM octanoyl-N-methylglucamide, equilibrated against 12-15 % (v/v) methanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.265 |
| 3AMA Protein kinase A sixfold mutant model of Aurora B with inhibitor JNJ-7706621 Deposited 2010-08-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Mutation：K47R, L95Q, M120L, V123A, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) | SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25mM Tris-HCl, 25mM NaCl, 1.5mM octanoyl-N-methylglucamide, 1mM (5-24)-PKI,12-20% (v/v) methanol, 2-methyl 2,4-pentanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.75 Å R-free 0.223 |
| 3AMB Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680 Deposited 2010-08-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Mutation：K47R, L95Q, M120L, V123A, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) | VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25mM Tris-HCl, 25mM NaCl, 1.5mM octanoyl-N-methylglucamide, 1mM (5-24)-PKI, 12-20% (v/v) methanol, 2-methyl-2,4-pentanediol 30%, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.25 Å R-free 0.256 |
| 3L9L Crystal structure of pka with compound 36 Deposited 2010-01-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | L9L 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl, 20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.262 |
| 3L9L Crystal structure of pka with compound 36 Deposited 2010-01-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | L9L 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl, 20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.262 |
| 3L9M Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 Deposited 2010-01-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) | L9M (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl, 20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.90 Å R-free 0.270 |
| 3L9M Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 Deposited 2010-01-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–351（351 aa）
|
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) | L9M (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl, 20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.90 Å R-free 0.270 |
| 3L9N crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 Deposited 2010-01-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) | L9N (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.0 M LiCl,
20-30% PEG6K, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.257 |
| 3MVJ Human cyclic AMP-dependent protein kinase PKA inhibitor complex Deposited 2010-05-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | XFE (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.49 Å R-free 0.304 |
| 3MVJ Human cyclic AMP-dependent protein kinase PKA inhibitor complex Deposited 2010-05-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.49 Å R-free 0.304 |
| 3MVJ Human cyclic AMP-dependent protein kinase PKA inhibitor complex Deposited 2010-05-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | XFE (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.49 Å R-free 0.304 |
| 3NX8 human cAMP dependent protein kinase in complex with phenol Deposited 2010-07-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IPH PHENOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5 mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.288 |
| 3OOG human cAMP-dependent protein kinase in complex with a small fragment Deposited 2010-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | YTP 1-(4-hydroxy-3-methylphenyl)ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5 mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.276 |
| 3OVV Human cAMP-dependent protein kinase in complex with an inhibitor Deposited 2010-09-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1SB N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide × 1 BUD (2S,3S)-butane-2,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5 mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA, equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.58 Å R-free 0.232 |
| 3OWP Human cAMP-dependent protein kinase in complex with an inhibitor Deposited 2010-09-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 2SB (2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5 mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA, equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.88 Å R-free 0.211 |
| 3OXT Human cAMP-dependent protein kinase in complex with an inhibitor Deposited 2010-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 3SB (2S)-2-amino-N'-[(1E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1 mM EDTA, equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.239 |
| 3P0M Human cAMP-dependent protein kinase in complex with an inhibitor Deposited 2010-09-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 4SB (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；5mM MES, 5mM BisTris-propane, 75mM LiCl, 1mM DTT, 0.1mM EDTA, equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.03 Å R-free 0.205 |
| 3POO human cAMP-dependent protein kinase in complex with an inhibitor Deposited 2010-11-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | S69 N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide × 1 BUD (2S,3S)-butane-2,3-diol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；289 K；5mM MES, 5mM BisTris-propane, 75mM LiCl, 1ml DTT, 0.1mM EDTA equilibrated against water/ethanol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K, temperature 289K
|
Resolution 1.60 Å R-free 0.212 |
| 3VQH Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89 Deposited 2012-03-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IQB N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；10mg/ml protein, 25mM BisTris/MES pH6.9, 50mM KCl, 1.5mM octanoyl-N-methylglucamide, 1mM Protein kinase inhibitor peptide, 5mM H-89 in MeOH', VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.234 |
| 4AE6 Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit Calpha 2 Deposited 2012-01-09 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–343（343 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
20 % PEG 3350, 0.2 M POTASSIUM ACETATE, 5 % POLYPROPYLENE GLYCOL P400
|
Resolution 2.10 Å R-free 0.283 |
| 4AE6 Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit Calpha 2 Deposited 2012-01-09 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–343（343 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
20 % PEG 3350, 0.2 M POTASSIUM ACETATE, 5 % POLYPROPYLENE GLYCOL P400
|
Resolution 2.10 Å R-free 0.283 |
| 4AE9 Structure and function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit C alpha 2 Deposited 2012-01-09 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–343（343 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
20 % PEG 3350, 0.2 M POTASSIUM ACETATE, 5 % POLYPROPYLENE GLYCOL P400
|
Resolution 2.30 Å R-free 0.264 |
| 4AE9 Structure and function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit C alpha 2 Deposited 2012-01-09 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–343（343 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
20 % PEG 3350, 0.2 M POTASSIUM ACETATE, 5 % POLYPROPYLENE GLYCOL P400
|
Resolution 2.30 Å R-free 0.264 |
| 4UJ1 Protein Kinase A in complex with an Inhibitor Deposited 2015-04-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NVX 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
Resolution 1.77 Å R-free 0.201 |
| 4UJ2 Protein Kinase A in complex with an Inhibitor Deposited 2015-04-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NVV 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
Resolution 2.02 Å R-free 0.209 |
| 4UJ9 Protein Kinase A in complex with an Inhibitor Deposited 2015-04-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-351
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | S3N 7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
Resolution 1.87 Å R-free 0.206 |
| 4UJA Protein Kinase A in complex with an Inhibitor Deposited 2015-04-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-351
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 4L7 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one × 1 BR BROMIDE ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
Resolution 1.93 Å R-free 0.206 |
| 4UJB Protein Kinase A in complex with an Inhibitor Deposited 2015-04-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-351
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 8BQ 7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
Resolution 1.95 Å R-free 0.190 |
| 4WB5 Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit) Deposited 2014-09-02 | Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；10% PEG 6000, 0.1M HEPES pH 7.5
|
Resolution 1.64 Å R-free 0.196 |
| 4WB7 Crystal structure of a chimeric fusion of human DnaJ (Hsp40) and cAMP-dependent protein kinase A (catalytic alpha subunit) Deposited 2014-09-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
16–351（336 aa）
Fragment：UNP P25685 residues 2-70,UNP P17612 residues 16-351
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ZN ZINC ION × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；70mM sodium cacodylate pH 6.5, 150mM magnesium acetate, 20mM zinc chloride, 5% glycerol, 11.5% PEG 8000
|
Resolution 1.90 Å R-free 0.188 |
| 4WB7 Crystal structure of a chimeric fusion of human DnaJ (Hsp40) and cAMP-dependent protein kinase A (catalytic alpha subunit) Deposited 2014-09-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
16–351（336 aa）
Fragment：UNP P25685 residues 2-70,UNP P17612 residues 16-351
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ZN ZINC ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；70mM sodium cacodylate pH 6.5, 150mM magnesium acetate, 20mM zinc chloride, 5% glycerol, 11.5% PEG 8000
|
Resolution 1.90 Å R-free 0.188 |
| 4WB8 Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit), exon 1 deletion Deposited 2014-09-02 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
16–351（336 aa）
Fragment：UNP residues 16-351
|
Mutation：none Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；10% PEG 8000, 0.1M HEPES pH 7.5
|
Resolution 1.55 Å R-free 0.184 |
| 5BX6 PKA in complex with a halogenated phthalazinone fragment compound. Deposited 2015-06-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 495 4-chlorophthalazin-1(2H)-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；The droplets, containing 10 mg/ml PKA.
25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide and 0.8 mM PKI peptide, were equilibrated against 12-26 % (v/v) methanol.
|
Resolution 1.89 Å R-free 0.218 |
| 5BX7 PKA in complex with a benzothiophene fragment compound. Deposited 2015-06-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 4W1 1-benzothiophen-3-ylmethanol × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；The droplets, containing 10 mg/ml PKA.
25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide and 0.8 mM PKI peptide, were equilibrated against 12-26 % (v/v) methanol.
|
Resolution 1.89 Å R-free 0.226 |
| 5IZF Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408 Deposited 2016-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；0.1M BisTris pH7.0, 0.2M amminium sulfate, 20%-24% PEG 3350
|
Resolution 2.10 Å R-free 0.270 |
| 5IZJ Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411 Deposited 2016-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 13 6J9 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；277.15 K；0.4M lithium sulfate, 0.1M phosphate citrate pH 4.5, 17%-19% PEG 1.5K
|
Resolution 1.85 Å R-free 0.226 |
| 5IZJ Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411 Deposited 2016-03-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PO4 PHOSPHATE ION × 13 6J9 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；277.15 K；0.4M lithium sulfate, 0.1M phosphate citrate pH 4.5, 17%-19% PEG 1.5K
|
Resolution 1.85 Å R-free 0.226 |
| 5J5X Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416 Deposited 2016-04-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 6J9 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277.15 K；18% PEG3350, 0.2M LiSO4
|
Resolution 2.60 Å R-free 0.309 |
| 5N23 Protein kinase A mutants as surrogate model for Aurora B with AT9283 inhibitor Deposited 2017-02-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Mutation：K47R, L95Q, M120L, V123A, Q181K,T183A Non-standard monomer：Yes (specific site not provided by mmCIF) | 35R 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；12-26 % (v/v) methanol
|
Resolution 2.09 Å R-free 0.239 |
| 5UZK Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor Deposited 2017-02-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
Fragment：kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 504 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；277 K；2% MPD, VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.30 Å R-free 0.253 |
| 6BYR Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha Deposited 2017-12-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
16–351（336 aa）
Chain C
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM NaCl, 16-18% pentaerythritol propoxylate and 10% dimethyl sulfoxide
|
Resolution 3.66 Å R-free 0.249 |
| 6BYR Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha Deposited 2017-12-21 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM NaCl, 16-18% pentaerythritol propoxylate and 10% dimethyl sulfoxide
|
Resolution 3.66 Å R-free 0.249 |
| 6BYR Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha Deposited 2017-12-21 | Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM NaCl, 16-18% pentaerythritol propoxylate and 10% dimethyl sulfoxide
|
Resolution 3.66 Å R-free 0.249 |
| 6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha Deposited 2017-12-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
2–351（350 aa）
Chain G
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate
|
Resolution 4.75 Å R-free 0.255 |
| 6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha Deposited 2017-12-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
2–351（350 aa）
Chain E
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate
|
Resolution 4.75 Å R-free 0.255 |
| 6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha Deposited 2017-12-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate
|
Resolution 4.75 Å R-free 0.255 |
| 6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha Deposited 2017-12-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate
|
Resolution 4.75 Å R-free 0.255 |
| 6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha Deposited 2017-12-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate
|
Resolution 4.75 Å R-free 0.255 |
| 6BYS Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha Deposited 2017-12-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain G
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate
|
Resolution 4.75 Å R-free 0.255 |
| 6C0U Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 Deposited 2018-01-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | EE4 N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 3 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；16% (w/v) PEG8000, 0.04 M potassium phosphate (monobasic), 20% (v/v) glycerol
|
Resolution 2.65 Å R-free 0.243 |
| 6FRX PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor Deposited 2018-02-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | E3Z ~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PKA-AU6 at 10mg/ml in 25mM BisTRIS/HCl (pH7.0), 150mM KCl, 1.5mM octanoyl-N-methylglucamide and 0.8mM PKI was equilibrated against 12-26% (v/v) methanol.
|
Resolution 1.88 Å R-free 0.226 |
| 6NO7 Crystal Structure of the full-length wild-type PKA RIa Holoenzyme Deposited 2019-01-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
2–351（350 aa）
Chain C
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；mixing 1 ul of the protein solution (7.5 mg/ml) and 1 ul of the reservoir solution (100 mM imidazole/MES pH=7.0, 100 mM NPS, 16.8% v/v Ethylene glycol, 8.4 % w/v PEG 8000).
|
Resolution 3.55 Å R-free 0.269 |
| 6NO7 Crystal Structure of the full-length wild-type PKA RIa Holoenzyme Deposited 2019-01-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain E
2–351（350 aa）
Chain G
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 4 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；mixing 1 ul of the protein solution (7.5 mg/ml) and 1 ul of the reservoir solution (100 mM imidazole/MES pH=7.0, 100 mM NPS, 16.8% v/v Ethylene glycol, 8.4 % w/v PEG 8000).
|
Resolution 3.55 Å R-free 0.269 |
| 6QJ7 Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1) Deposited 2019-01-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | J4B ~{N}'-[(2~{S})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；5mM MES, 5mM Bis-Tris-propane, 75mM LiCl, 1mM DTT, 0.1mM EDTA, 1.4mM PKA-peptide, 1.4mM MEGA-8, 14% Et-OH as well solution
|
Resolution 1.69 Å R-free 0.214 |
| 6WJF PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma Deposited 2020-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
8–343（336 aa）
Chain B
8–343（336 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 5.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 7.50 Å |
| 6WJG PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma Deposited 2020-04-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
8–343（336 aa）
Chain B
8–343（336 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 5.8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 6.20 Å |
| 7Y1G Crystal structure of human PRKACA complexed with DS01080522 Deposited 2022-06-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | I5G 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；25 mM Tris, pH 8.4/ 20% PEG3350/ 0.05 M Zn Acetate/ 25 mM Glycine
|
Resolution 2.30 Å R-free 0.237 |
| 7Y1G Crystal structure of human PRKACA complexed with DS01080522 Deposited 2022-06-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | I5G 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.4；293 K；25 mM Tris, pH 8.4/ 20% PEG3350/ 0.05 M Zn Acetate/ 25 mM Glycine
|
Resolution 2.30 Å R-free 0.237 |
| 8FE2 Structure of J-PKAc chimera complexed with Aplithianine A Deposited 2022-12-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | XTI 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM HEPES 7.5, 20% PEG 3350
|
Resolution 2.34 Å R-free 0.251 |
| 8FE2 Structure of J-PKAc chimera complexed with Aplithianine A Deposited 2022-12-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | XTI 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM HEPES 7.5, 20% PEG 3350
|
Resolution 2.34 Å R-free 0.251 |
| 8FE5 Structure of J-PKAc chimera complexed with Aplithianine B Deposited 2022-12-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | XTT 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium Sulfate, 100 mM HEPES 7.5, 25% PEG 3350
|
Resolution 2.51 Å R-free 0.243 |
| 8FE5 Structure of J-PKAc chimera complexed with Aplithianine B Deposited 2022-12-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | XTT 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium Sulfate, 100 mM HEPES 7.5, 25% PEG 3350
|
Resolution 2.51 Å R-free 0.243 |
| 8FEC Structure of J-PKAc chimera complexed with Aplithianine derivative Deposited 2022-12-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | XU0 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM HEPES 7.5, 25% PEG 3350
|
Resolution 2.70 Å R-free 0.287 |
| 8FEC Structure of J-PKAc chimera complexed with Aplithianine derivative Deposited 2022-12-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | XU0 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM HEPES 7.5, 25% PEG 3350
|
Resolution 2.70 Å R-free 0.287 |
| 8X5L The Crystal Structure of PRKACA from Biortus. Deposited 2023-11-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | RKD (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2M NaAC, 0.1M Na3citrate pH5.5, 10% PEG 4000, 40% v/v Polypropylene glycol P 400
|
Resolution 2.75 Å R-free 0.255 |
| 8X5L The Crystal Structure of PRKACA from Biortus. Deposited 2023-11-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | RKD (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2M NaAC, 0.1M Na3citrate pH5.5, 10% PEG 4000, 40% v/v Polypropylene glycol P 400
|
Resolution 2.75 Å R-free 0.255 |
| 9DC6 Structure of J-PKAc chimera in complex with Aplithianine e1 Deposited 2024-08-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1A3I N-(2-aminoethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazine-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM Hepes pH 7.5, 20 % PEG 3350
|
Resolution 2.70 Å R-free 0.311 |
| 9DC6 Structure of J-PKAc chimera in complex with Aplithianine e1 Deposited 2024-08-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1A3I N-(2-aminoethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazine-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277.15 K；200 mM Lithium sulfate, 100 mM Hepes pH 7.5, 20 % PEG 3350
|
Resolution 2.70 Å R-free 0.311 |
| 9DCD Structure of J-PKAc chimera in complex with Aplithianine d2 Deposited 2024-08-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1A3J N-(2-aminoethyl)-4-(7H-purin-6-yl)-3,4-dihydro-2H-1,4-thiazine-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；277.15 K；0.2 M LiCl, 0.1 M Mes pH:6.0, 20% PEG 6000
|
Resolution 2.70 Å R-free 0.191 |
| 9EDC Reset Type-I Protein Kinase A Holoenzyme Deposited 2024-11-16 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.18 Å |
| 9EDD Reset Type-I Protein Kinase A Holoenzyme Deposited 2024-11-16 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 6.30 Å |
| 9EDE Reset Type-I Protein Kinase A Holoenzyme Deposited 2024-11-16 | Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 5.90 Å |
| 9NFS Structure of J-PKAc chimera in complex with Aplithianine j1 Deposited 2025-02-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1BX1 (4P)-4-[4-(pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazin-6-yl]-1H-pyrrolo[2,3-b]pyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.6；277.15 K；0.2 M LiCl, 0.1 M hopes, pH 7.6, 25% PEG 3350
|
Resolution 2.45 Å R-free 0.334 |
| 9NFS Structure of J-PKAc chimera in complex with Aplithianine j1 Deposited 2025-02-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
16–351（336 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1BX1 (4P)-4-[4-(pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazin-6-yl]-1H-pyrrolo[2,3-b]pyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.6；277.15 K；0.2 M LiCl, 0.1 M hopes, pH 7.6, 25% PEG 3350
|
Resolution 2.45 Å R-free 0.334 |
53 other PDB entries and 77 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | KAPCA_HUMAN |
| Isoform | — |
| PDB entities | 1, 2 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–350； UniProt 2–351 Author chain B； PDBConstruct 1–350； UniProt 2–351 |
