PPIRE13967
Target Protein Information
| Protein_Name | C-X-C chemokine receptor type 4 |
|---|---|
| Protein_Sequence | MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS |
| Organism_Source | Homo sapiens |
| Functional_Classification | G protein-coupled receptor |
| Cellular_Localization | Plasma membrane |
| Gene_Names | CXCR4 |
| UniProt_ID | P61073 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | ECL2-X4 |
|---|---|
| Peptide_Sequence | NVSEADDRYICDRFYPNDLWVVVFQFQ |
| Peptide_Length | 27 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)C(C)C)C(C)C |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 3339.69 |
|---|---|
| Aliphatic_Index | 75.55556 |
| Aromaticity | 0.22222 |
| Average_Rotatable_Bonds | 3.81481 |
| Charge_at_pH_7 | -3.06214 |
| Isoelectric_Point | 3.88422 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 43 |
| Number_of_Hydrogen_Bond_Donors | 47 |
| Topological_Polar_Surface_Area | 1370.27000 |
| X_logP_energy | -9.91186 |
Interaction Information
| Affinity | IC50=5.7 uM |
|---|---|
| Affinity_Assay | fluorescence calcium assay |
| PDB_ID | None |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Neutralising properties of peptides derived from CXCR4 extracellular loops towards CXCL12 binding and HIV-1 infection. |
| Release_Year | 2014 |
| PMID | 24480462 |
| DOI | 10.1016/j.bbamcr.2014.01.017 |