PPIPT02014
Target Protein Information
| Protein_Name | Integrin beta-3 |
|---|---|
| Protein_Sequence | MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLGSPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRPDDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFGAFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGTFECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFGKITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLLCSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRYCRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDILVVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT |
| Organism_Source | Homo sapiens |
| Functional_Classification | Integrin u subunit (cell adhesion receptor) |
| Cellular_Localization | Plasma membrane |
| Gene_Names | ITGB3 |
| UniProt_ID | P05106 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | peptide #12 |
|---|---|
| Peptide_Sequence | aRGDAA |
| Peptide_Length | 6 |
| Peptide_SMILES | C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O |
| Chemical_Modification | X1=N-methyl-D-alanine; X6=N-methyl-alanine |
| Cyclization_Method | Main chain cyclization; a1<->A6; amide bond |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 559.58 |
|---|---|
| Aliphatic_Index | 50.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.83333 |
| Charge_at_pH_7 | -0.00157 |
| Isoelectric_point | 6.33872 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 9 |
| Number_of_Hydrogen_Bond_Donors | 11 |
| Topological_Polar_Surface_Area | 308.02000 |
| X_logP_energy | -4.74863 |
Interaction Information
| Affinity | IC50=8.4 nM |
|---|---|
| Affinity_Assay | solid-phase binding assay |
| PDB_ID | 1L5G |
| Type | Antagonist |
| Structure | |
Reference Information
| Document_Type | Patent |
|---|---|
| Title | N-METHYLATED CYCLIC PEPTIDES AND THEIR PRODRUGS |
| Release_Year | 2020 |
| Patent_ID | US20200283483A1 |