PPIRE18386

Target Protein Information
Protein_Name Interleukin-8
Protein_Sequence MTSKLAVALLAAFLISAALCEGAVLPRSAKELRCQCIKTYSKPFHPKFIKELRVIESGPHCANTEIIVKLSDGRELCLDPKENWVQRVVEKFLKRAENS
Organism_Source Homo sapiens
Functional_Classification CXC chemokines
Cellular_Localization Extracellular
Gene_Names CXCL8
UniProt_ID P10145
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name hCXCR1D13Apep
Peptide_Sequence MWDFADLNFTGMPPADEDYSP
Peptide_Length 21
Peptide_SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=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 2419.62
Aliphatic_Index 28.09524
Aromaticity 0.19048
Average_Rotatable_Bonds 3.28571
Charge_at_pH_7 -4.99931
Isoelectric_Point 3.16791
Number_of_Hydrogen_Bond_Acceptors 33
Number_of_Hydrogen_Bond_Donors 29
Topological_Polar_Surface_Area 925.02000
X_logP_energy -6.99380
Interaction Information
Affinity KD=1.3 mM
Affinity_Assay NMR chemical shift perturbation
PDB_ID 3IL8
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title The dynamics of interleukin-8 and its interaction with human CXC receptor I peptide
Release_Year 2014
PMID 24442768
DOI 10.1002/pro.2430