PPIRE13657
Target Protein Information
| Protein_Name | C5a anaphylatoxin chemotactic receptor 1 |
|---|---|
| Protein_Sequence | MDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV |
| Organism_Source | Homo sapiens |
| Functional_Classification | G protein-coupled receptor |
| Cellular_Localization | Plasma membrane |
| Gene_Names | C5AR1 |
| UniProt_ID | P21730 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | C5aR7-28S2 |
|---|---|
| Peptide_Sequence | TTPDGXHXXKDTLDLNTPVDKTS |
| Peptide_Length | 23 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O |
| Chemical_Modification | X11=O-sulfotyrosine; X14=O-sulfotyrosine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 2326.46 |
|---|---|
| Aliphatic_Index | 46.52174 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.21739 |
| Charge_at_pH_7 | -1.90991 |
| Isoelectric_Point | 4.44695 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 38 |
| Number_of_Hydrogen_Bond_Donors | 36 |
| Topological_Polar_Surface_Area | 1080.33000 |
| X_logP_energy | -16.75560 |
Interaction Information
| Affinity | KD=8.4 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 2K3U |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure of the tyrosine-sulfated C5a receptor N terminus in complex with chemotaxis inhibitory protein of Staphylococcus aureus. |
| Release_Year | 2009 |
| PMID | 19251703 |
| DOI | 10.1074/jbc.M808179200 |