PPIRE18051

Target Protein Information
Protein_Name C-C motif chemokine 5
Protein_Sequence MKVSAAALAVILIATALCAPASASPYSSDTTPCCFAYIARPLPRAHIKEYFYTSGKCSNPAVVFVTRKNRQVCANPEKKWVREYINSLEMS
Organism_Source Homo sapiens
Functional_Classification CC chemokines
Cellular_Localization Extracellular
Gene_Names CCL5
UniProt_ID P13501
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Nt-CCR5(1-27)
Peptide_Sequence MDYQVSSPIXDINXYTSEPAQKINVKQ
Peptide_Length 27
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)O
Chemical_Modification X10=sulfotyrosine; X14=sulfotyrosine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2983.30
Aliphatic_Index 68.51852
Aromaticity 0.07407
Average_Rotatable_Bonds 3.62963
Charge_at_pH_7 -1.00164
Isoelectric_Point 4.37040
Number_of_Hydrogen_Bond_Acceptors 45
Number_of_Hydrogen_Bond_Donors 42
Topological_Polar_Surface_Area 1303.11000
X_logP_energy -15.62460
Interaction Information
Affinity KD=52 uM
Affinity_Assay NMR chemical shift perturbation
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Detection of intermolecular transferred-NOE interactions in small and medium size protein complexes: RANTES complexed with a CCR5 N-terminal peptide
Release_Year 2017
PMID 28052516
DOI 10.1111/febs.14000