PPIRE09063
Target Protein Information
| Protein_Name | Cholecystokinin receptor type A |
|---|---|
| Protein_Sequence | MDVVDSLLVNGSNITPPCELGLENETLFCLDQPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPNDVMQQSWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFEASQKKSAKERKPSTTSSGKYEDSDGCYLQKTRPPRKLELRQLSTGSSSRANRIRSNSSAANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTASAERRLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGARGEVGEEEEGGTTGASLSRFSYSHMSASVPPQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | G protein-coupled receptor |
| Cellular_Localization | Plasma membrane |
| Gene_Names | CCKAR |
| UniProt_ID | P32238 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | cyclo-A6 |
|---|---|
| Peptide_Sequence | DYMXWMDXG |
| Peptide_Length | 9 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | Y2=sulfotyrosine; X4=2,9-diaminopropionic acid,3-diaminopropionic acid; X8=Nepsilon-benzyl-2,4-diaminobutyric acid |
| Cyclization_Method | Main chain-side chain cyclization; X4<->G9; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1031.12 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.22222 |
| Average_Rotatable_Bonds | 3.44444 |
| Charge_at_pH_7 | -2.00197 |
| Isoelectric_Point | 3.49188 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 14 |
| Topological_Polar_Surface_Area | 406.74000 |
| X_logP_energy | -2.70120 |
Interaction Information
| Affinity | IC50=6.94 uM |
|---|---|
| Affinity_Assay | radioligand binding assay |
| PDB_ID | None |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Synthesis and biological evaluation of cyclic and branched peptide analogues as ligands for cholecystokinin type 1 receptor. |
| Release_Year | 2007 |
| PMID | 17562367 |
| DOI | 10.1016/j.bmc.2007.05.067 |