PPIRE11308
Target Protein Information
| Protein_Name | Integrin beta-3 |
|---|---|
| Protein_Sequence | MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLGSPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRPDDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFGAFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGTFECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFGKITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLLCSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRYCRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDILVVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT |
| Organism_Source | Homo sapiens |
| Functional_Classification | integrin |
| Cellular_Localization | Plasma membrane |
| Gene_Names | ITGB3 |
| UniProt_ID | P05106 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | DOTA-Galacto-RGD2 |
|---|---|
| Peptide_Sequence | EcRGDfXcRGDfX |
| Peptide_Length | 13 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O |
| Chemical_Modification | X7=7-amino-L-glycero-L-galacto-2,6-anhydro-7-deoxyheptanamide-PEG2-1,2,3-triazole-4-methylamide; X13=7-amino-L-glycero-L-galacto-2,6-anhydro-7-deoxyheptanamide-PEG2-1,2,3-triazole-4-methylamide |
| Cyclization_Method | Multi-point cyclization; D3<->X7; amide bond; D11<->X13; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Dota |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1418.52 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.15385 |
| Average_Rotatable_Bonds | 3.53846 |
| Charge_at_pH_7 | -1.12330 |
| Isoelectric_Point | 4.37032 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 21 |
| Number_of_Hydrogen_Bond_Donors | 25 |
| Topological_Polar_Surface_Area | 648.22000 |
| X_logP_energy | -8.57276 |
Interaction Information
| Affinity | IC50=27 nM |
|---|---|
| Affinity_Assay | whole-cell competitive displacement assay |
| PDB_ID | None |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Comparison of biological properties of (111)In-labeled dimeric cyclic RGD peptides. |
| Release_Year | 2014 |
| PMID | 25459111 |
| DOI | 10.1016/j.nucmedbio.2014.10.005 |