PPIRE01604
Target Protein Information
| Protein_Name | cAMP-dependent protein kinase catalytic subunit alpha |
|---|---|
| Protein_Sequence | MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PRKACA |
| UniProt_ID | P17612 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Compound?8 |
|---|---|
| Peptide_Sequence | TDVXTTYXDFIASGRTGRRNAIHD |
| Peptide_Length | 24 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| Chemical_Modification | X4=2-(4'-pentenyl)alanine;X8=2-(4'-pentenyl)alanine |
| Cyclization_Method | X4<->X8;side chain cyclization;other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Other |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 2580.76 |
|---|---|
| Aliphatic_Index | 52.91667 |
| Aromaticity | 0.08333 |
| Average_Rotatable_Bonds | 3.45833 |
| Charge_at_pH_7 | 0.08937 |
| Isoelectric_Point | 7.54418 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 39 |
| Number_of_Hydrogen_Bond_Donors | 45 |
| Topological_Polar_Surface_Area | 1223.37000 |
| X_logP_energy | -17.37609 |
Interaction Information
| Affinity | IC50=34.9 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A Stapled Peptide Mimic of the Pseudosubstrate Inhibitor PKI Inhibits Protein Kinase A. |
| Release_Year | 2019 |
| PMID | 31009996 |
| DOI | 10.3390/molecules24081567 |