PPIRE12236

Target Protein Information
Protein_Name C-C chemokine receptor type 5
Protein_Sequence MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names CCR5
UniProt_ID P51681
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name R1.5G3
Peptide_Sequence CFPYITRPGPIKEYXY
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC)[C@@H](C)O
Chemical_Modification X15=1-naphthylalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1904.21
Aliphatic_Index 48.75000
Aromaticity 0.25000
Average_Rotatable_Bonds 3.31250
Charge_at_pH_7 0.93494
Isoelectric_Point 8.48387
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 24
Topological_Polar_Surface_Area 679.59000
X_logP_energy -2.80083
Interaction Information
Affinity IC50=403 nM
Affinity_Assay envelope-mediated fusion assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Molecular engineering of RANTES peptide mimetics with potent anti-HIV-1 activity.
Release_Year 2011
PMID 21199933
DOI 10.1096/fj.10-167627