PPIRE09035
Target Protein Information
| Protein_Name | Integrin alpha-5 |
|---|---|
| Protein_Sequence | MGSRTPESPLHAVQLRWGPRRRPPLLPLLLLLLPPPPRVGGFNLDAEAPAVLSGPPGSFFGFSVEFYRPGTDGVSVLVGAPKANTSQPGVLQGGAVYLCPWGASPTQCTPIEFDSKGSRLLESSLSSSEGEEPVEYKSLQWFGATVRAHGSSILACAPLYSWRTEKEPLSDPVGTCYLSTDNFTRILEYAPCRSDFSWAAGQGYCQGGFSAEFTKTGRVVLGGPGSYFWQGQILSATQEQIAESYYPEYLINLVQGQLQTRQASSIYDDSYLGYSVAVGEFSGDDTEDFVAGVPKGNLTYGYVTILNGSDIRSLYNFSGEQMASYFGYAVAATDVNGDGLDDLLVGAPLLMDRTPDGRPQEVGRVYVYLQHPAGIEPTPTLTLTGHDEFGRFGSSLTPLGDLDQDGYNDVAIGAPFGGETQQGVVFVFPGGPGGLGSKPSQVLQPLWAASHTPDFFGSALRGGRDLDGNGYPDLIVGSFGVDKAVVYRGRPIVSASASLTIFPAMFNPEERSCSLEGNPVACINLSFCLNASGKHVADSIGFTVELQLDWQKQKGGVRRALFLASRQATLTQTLLIQNGAREDCREMKIYLRNESEFRDKLSPIHIALNFSLDPQAPVDSHGLRPALHYQSKSRIEDKAQILLDCGEDNICVPDLQLEVFGEQNHVYLGDKNALNLTFHAQNVGEGGAYEAELRVTAPPEAEYSGLVRHPGNFSSLSCDYFAVNQSRLLVCDLGNPMKAGASLWGGLRFTVPHLRDTKKTIQFDFQILSKNLNNSQSDVVSFRLSVEAQAQVTLNGVSKPEAVLFPVSDWHPRDQPQKEEDLGPAVHHVYELINQGPSSISQGVLELSCPQALEGQQLLYVTRVTGLNCTTNHPINPKGLELDPEGSLHHQQKREAPSRSSASSGPQILKCPEAECFRLRCELGPLHQQESQSLQLHFRVWAKTFLQREHQPFSLQCEAVYKALKMPYRILPRQLPQKERQVATAVQWTKAEGSYGVPLWIIILAILFGLLLLGLLIYILYKLGFFKRSLPYGTAMEKAQLKPPATSDA |
| Organism_Source | Homo sapiens |
| Functional_Classification | integrins |
| Cellular_Localization | Plasma membrane |
| Gene_Names | ITGA5 |
| UniProt_ID | P08648 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | CT3RGDcT3NWfCT3 |
|---|---|
| Peptide_Sequence | CRGDCNWfC |
| Peptide_Length | 9 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Multi-point cyclization; C1<->C5; other bonds; C1<->C9; other bonds; C5<->C9; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1103.25 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.22222 |
| Average_Rotatable_Bonds | 3.55556 |
| Charge_at_pH_7 | -0.18750 |
| Isoelectric_Point | 5.99786 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 16 |
| Number_of_Hydrogen_Bond_Donors | 19 |
| Topological_Polar_Surface_Area | 454.20000 |
| X_logP_energy | -4.72243 |
Interaction Information
| Affinity | IC50=3500 nM |
|---|---|
| Affinity_Assay | ELISA |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | High-Affinity Alpha5Beta1-Integrin-Selective Bicyclic RGD Peptides Identified via Screening of Designed Random Libraries. |
| Release_Year | 2019 |
| PMID | 31269394 |
| DOI | 10.1021/acscombsci.9b00081 |