PPIRE12098

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 SQ010-5
Peptide_Sequence WWTWGWRASKLGLAR
Peptide_Length 15
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)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 1874.18
Aliphatic_Index 65.33333
Aromaticity 0.26667
Average_Rotatable_Bonds 3.66667
Charge_at_pH_7 2.99768
Isoelectric_Point 12.51648
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 29
Topological_Polar_Surface_Area 724.16000
X_logP_energy -2.49506
Interaction Information
Affinity IC50=63 nM
Affinity_Assay degranulation assay
PDB_ID None
Type antagonist
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