PPIRE06269
Target Protein Information
| Protein_Name | C3a anaphylatoxin chemotactic receptor |
|---|---|
| Protein_Sequence | MASFSAETNSTDLLSQPWNEPPVILSMVILSLTFLLGLPGNGLVLWVAGLKMQRTVNTIWFLHLTLADLLCCLSLPFSLAHLALQGQWPYGRFLCKLIPSIIVLNMFASVFLLTAISLDRCLVVFKPIWCQNHRNVGMACSICGCIWVVAFVMCIPVFVYREIFTTDNHNRCGYKFGLSSSLDYPDFYGDPLENRSLENIVQPPGEMNDRLDPSSFQTNDHPWTVPTVFQPQTFQRPSADSLPRGSARLTSQNLYSNVFKPADVVSPKIPSGFPIEDHETSPLDNSDAFLSTHLKLFPSASSNSFYESELPQGFQDYYNLGQFTDDDQVPTPLVAITITRLVVGFLLPSVIMIACYSFIVFRMQRGRFAKSQSKTFRVAVVVVAVFLVCWTPYHIFGVLSLLTDPETPLGKTLMSWDHVCIALASANSCFNPFLYALLGKDFRKKARQSIQGILEAAFSEELTRSTHCPSNNVISERNSTTV |
| Organism_Source | Homo sapiens |
| Functional_Classification | G protein-coupled receptor |
| Cellular_Localization | Plasma membrane |
| Gene_Names | C3AR1 |
| UniProt_ID | Q16581 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | E2 |
|---|---|
| Peptide_Sequence | FLPLAR |
| Peptide_Length | 6 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 715.89 |
|---|---|
| Aliphatic_Index | 146.66667 |
| Aromaticity | 0.16667 |
| Average_Rotatable_Bonds | 3.33333 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_Point | 10.55000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 261.93000 |
| X_logP_energy | -0.05343 |
Interaction Information
| Affinity | EC50=675 nM |
|---|---|
| Affinity_Assay | degranulation assay |
| PDB_ID | None |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | De novo peptide design with C3a receptor agonist and antagonist activities: theoretical predictions and experimental validation. |
| Release_Year | 2012 |
| PMID | 22500977 |
| DOI | 10.1021/jm201609k |