PPIRE13348
Target Protein Information
| Protein_Name | Integrin beta-3 |
|---|---|
| Protein_Sequence | MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLGSPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRPDDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFGAFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGTFECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFGKITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLLCSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRYCRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDILVVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT |
| Organism_Source | Homo sapiens |
| Functional_Classification | integrins |
| Cellular_Localization | Plasma membrane |
| Gene_Names | ITGB3 |
| UniProt_ID | P05106 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | DOTA-3G-RGD2 |
|---|---|
| Peptide_Sequence | GGGEGGGRGDfKGGGRGDfK |
| Peptide_Length | 20 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Multi-point cyclization; side chain-side chain amide bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Dota |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1867.96 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.10000 |
| Average_Rotatable_Bonds | 3.30000 |
| Charge_at_pH_7 | 1.00006 |
| Isoelectric_Point | 9.53242 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 28 |
| Number_of_Hydrogen_Bond_Donors | 32 |
| Topological_Polar_Surface_Area | 903.96000 |
| X_logP_energy | -14.36096 |
Interaction Information
| Affinity | IC50=1.1 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Evaluation of 111In-labeled cyclic RGD peptides: tetrameric not tetravalent. |
| Release_Year | 2010 |
| PMID | 20387808 |
| DOI | 10.1021/bc900555q |