PPIRE13672

Target Protein Information
Protein_Name Integrin alpha-V
Protein_Sequence MAFPPRRRLRLGPRGLPLLLSGLLLPLCRAFNLDVDSPAEYSGPEGSYFGFAVDFFVPSASSRMFLLVGAPKANTTQPGIVEGGQVLKCDWSSTRRCQPIEFDATGNRDYAKDDPLEFKSHQWFGASVRSKQDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDADGQGFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYSIKYNNQLATRTAQAIFDDSYLGYSVAVGDFNGDGIDDFVSGVPRAARTLGMVYIYDGKNMSSLYNFTGEQMAAYFGFSVAATDINGDDYADVFIGAPLFMDRGSDGKLQEVGQVSVSLQRASGDFQTTKLNGFEVFARFGSAIAPLGDLDQDGFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQILEGQWAARSMPPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVYPSILNQDNKTCSLPGTALKVSCFNVRFCLKADGKGVLPRKLNFQVELLLDKLKQKGAIRRALFLYSRSPSHSKNMTISRGGLMQCEELIAYLRDESEFRDKLTPITIFMEYRLDYRTAADTTGLQPILNQFTPANISRQAHILLDCGEDNVCKPKLEVSVDSDQKKIYIGDDNPLTLIVKAQNQGEGAYEAELIVSIPLQADFIGVVRNNEALARLSCAFKTENQTRQVVCDLGNPMKAGTQLLAGLRFSVHQQSEMDTSVKFDLQIQSSNLFDKVSPVVSHKVDLAVLAAVEIRGVSSPDHVFLPIPNWEHKENPETEEDVGPVVQHIYELRNNGPSSFSKAMLHLQWPYKYNNNTLLYILHYDIDGPMNCTSDMEINPLRIKISSLQTTEKNDTVAGQGERDHLITKRDLALSEGDIHTLGCGVAQCLKIVCQVGRLDRGKSAILYVKSLLWTETFMNKENQNHSYSLKSSASFNVIEFPYKNLPIEDITNSTLVTTNVTWGIQPAPMPVPVWVIILAVLAGLLLLAVLVFVMYRMGFFKRVRPPQEEQEREQLQPHENGEGNSET
Organism_Source Homo sapiens
Functional_Classification integrins
Cellular_Localization Plasma membrane
Gene_Names ITGAV
UniProt_ID P06756
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name HYNIC-3P-RGD2
Peptide_Sequence XXXXEXXXXRGDfKXXXXRGDfK
Peptide_Length 23
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)CNC(=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)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=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 X1-4=PEG4; X6-9=PEG4; X15-18=PEG4
Cyclization_Method Side chain-side chain cyclization; D12<->K14; amide bond; D22<->K23; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Hynic
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2039.11
Aliphatic_Index 0.00000
Aromaticity 0.08696
Average_Rotatable_Bonds 3.13043
Charge_at_pH_7 1.00006
Isoelectric_Point 9.53242
Number_of_Hydrogen_Bond_Acceptors 31
Number_of_Hydrogen_Bond_Donors 35
Topological_Polar_Surface_Area 991.26000
X_logP_energy -17.01236
Interaction Information
Affinity IC50=32 nM
Affinity_Assay whole-cell competitive displacement assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title (99m)Tc-Galacto-RGD2: a novel 99mTc-labeled cyclic RGD peptide dimer useful for tumor imaging.
Release_Year 2013
PMID 23875883
DOI 10.1021/mp400085d