PPIRE09032
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 | CT3RGDcT3AYJCT3 |
|---|---|
| Peptide_Sequence | CRGDCAYlC |
| Peptide_Length | 9 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)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 | 1003.17 |
|---|---|
| Aliphatic_Index | 54.44444 |
| Aromaticity | 0.11111 |
| Average_Rotatable_Bonds | 3.33333 |
| Charge_at_pH_7 | -0.18835 |
| Isoelectric_Point | 5.99641 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 16 |
| Number_of_Hydrogen_Bond_Donors | 18 |
| Topological_Polar_Surface_Area | 415.55000 |
| X_logP_energy | -4.55023 |
Interaction Information
| Affinity | IC50=90 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 |