PPIRE18623
Target Protein Information
| Protein_Name | Integrin alpha-IIb |
|---|---|
| Protein_Sequence | MARALCPLQALWLLEWVLLLLGPCAAPPAWALNLDPVQLTFYAGPNGSQFGFSLDFHKDSHGRVAIVVGAPRTLGPSQEETGGVFLCPWRAEGGQCPSLLFDLRDETRNVGSQTLQTFKARQGLGASVVSWSDVIVACAPWQHWNVLEKTEEAEKTPVGSCFLAQPESGRRAEYSPCRGNTLSRIYVENDFSWDKRYCEAGFSSVVTQAGELVLGAPGGYYFLGLLAQAPVADIFSSYRPGILLWHVSSQSLSFDSSNPEYFDGYWGYSVAVGEFDGDLNTTEYVVGAPTWSWTLGAVEILDSYYQRLHRLRGEQMASYFGHSVAVTDVNGDGRHDLLVGAPLYMESRADRKLAEVGRVYLFLQPRGPHALGAPSLLLTGTQLYGRFGSAIAPLGDLDRDGYNDIAVAAPYGGPSGRGQVLVFLGQSEGLRSRPSQVLDSPFPTGSAFGFSLRGAVDIDDNGYPDLIVGAYGANQVAVYRAQPVVKASVQLLVQDSLNPAVKSCVLPQTKTPVSCFNIQMCVGATGHNIPQKLSLNAELQLDRQKPRQGRRVLLLGSQQAGTTLNLDLGGKHSPICHTTMAFLRDEADFRDKLSPIVLSLNVSLPPTEAGMAPAVVLHGDTHVQEQTRIVLDCGEDDVCVPQLQLTASVTGSPLLVGADNVLELQMDAANEGEGAYEAELAVHLPQGAHYMRALSNVEGFERLICNQKKENETRVVLCELGNPMKKNAQIGIAMLVSVGNLEEAGESVSFQLQIRSKNSQNPNSKIVLLDVPVRAEAQVELRGNSFPASLVVAAEEGEREQNSLDSWGPKVEHTYELHNNGPGTVNGLHLSIHLPGQSQPSDLLYILDIQPQGGLQCFPQPPVNPLKVDWGLPIPSPSPIHPAHHKRDRRQIFLPEPEQPSRLQDPVLVSCDSAPCTVVQCDLQEMARGQRAMVTVLAFLWLPSLYQRPLDQFVLQSHAWFNVSSLPYAVPPLSLPRGEAQVWTQLLRALEERAIPIWWVLVGVLGGLLLLTILVLAMWKVGFFKRNRPPLEEDDEEGE |
| Organism_Source | Homo sapiens |
| Functional_Classification | integrins |
| Cellular_Localization | Plasma membrane |
| Gene_Names | ITGA2B |
| UniProt_ID | P08514 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Mba-(NAlpha-Me)Arg-Gly-Asp-Man |
|---|---|
| Peptide_Sequence | XRGDX |
| Peptide_Length | 5 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O |
| Chemical_Modification | X1=2-mercaptobenzoyl; R2=N-methylation; X5=2-mercaptoaniline |
| Cyclization_Method | side chain-side chain cyclization; X1<-->X5; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | 2-mercaptobenzoyl |
| C-terminal_Modification | none |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 460.45 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | -0.00157 |
| Isoelectric_Point | 6.33872 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 278.92000 |
| X_logP_energy | -5.03033 |
Interaction Information
| Affinity | Ki=0.004 pM |
|---|---|
| Affinity_Assay | Radioligand binding assay |
| PDB_ID | None |
| Type | Antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Investigation of Conformational Specificity at GPIIb/IIIa: Evaluation of Conformationally Constrained RGD Peptides |
| Release_Year | 1992 |
| PMID | 1619619 |
| DOI | 10.1021/jm00091a013 |