PPIRE09747

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 YSFkPMPLaR
Peptide_Sequence YSFkPMPLaR
Peptide_Length 10
Peptide_SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)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 Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1209.47
Aliphatic_Index 49.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 1.99684
Isoelectric_Point 10.45492
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 436.02000
X_logP_energy -1.83143
Interaction Information
Affinity Ki=530000 uM
Affinity_Assay molecular docking
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Model structures of inactive and peptide agonist bound C5aR: Insights into agonist binding, selectivity and activation.
Release_Year 2015
PMID 29124137
DOI 10.1016/j.bbrep.2015.03.002