PPIRE11670

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-3PEG4-dimer
Peptide_Sequence XEXRGDfKXRGDfK
Peptide_Length 14
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=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)NCC(=O)N[C@@H](CCCNC(=N)N)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 X1=15-amino-4,7,10,13-tetraoxapentadecanoic acid; X3=15-amino-4,7,10,13-tetraoxapentadecanoic acid; X9=15-amino-4,7,10,13-tetraoxapentadecanoic acid
Cyclization_Method Multi-point cyclization; D6<->K8; amide bond; D12<->K14; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Dota
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1525.64
Aliphatic_Index 0.00000
Aromaticity 0.14286
Average_Rotatable_Bonds 3.85714
Charge_at_pH_7 1.00006
Isoelectric_Point 9.53242
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 729.36000
X_logP_energy -9.05816
Interaction Information
Affinity IC50=74 nM
Affinity_Assay radioligand competition binding assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Improving tumor uptake and pharmacokinetics of (64)Cu-labeled cyclic RGD peptide dimers with Gly(3)and PEG(4)linkers.
Release_Year 2009
PMID 19320477
DOI 10.1021/bc800455p