PPIRE14845
Target Protein Information
| Protein_Name | Integrin alpha-V |
|---|---|
| Protein_Sequence | MAFPPRRRLRLGPRGLPLLLSGLLLPLCRAFNLDVDSPAEYSGPEGSYFGFAVDFFVPSASSRMFLLVGAPKANTTQPGIVEGGQVLKCDWSSTRRCQPIEFDATGNRDYAKDDPLEFKSHQWFGASVRSKQDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDADGQGFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYSIKYNNQLATRTAQAIFDDSYLGYSVAVGDFNGDGIDDFVSGVPRAARTLGMVYIYDGKNMSSLYNFTGEQMAAYFGFSVAATDINGDDYADVFIGAPLFMDRGSDGKLQEVGQVSVSLQRASGDFQTTKLNGFEVFARFGSAIAPLGDLDQDGFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQILEGQWAARSMPPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVYPSILNQDNKTCSLPGTALKVSCFNVRFCLKADGKGVLPRKLNFQVELLLDKLKQKGAIRRALFLYSRSPSHSKNMTISRGGLMQCEELIAYLRDESEFRDKLTPITIFMEYRLDYRTAADTTGLQPILNQFTPANISRQAHILLDCGEDNVCKPKLEVSVDSDQKKIYIGDDNPLTLIVKAQNQGEGAYEAELIVSIPLQADFIGVVRNNEALARLSCAFKTENQTRQVVCDLGNPMKAGTQLLAGLRFSVHQQSEMDTSVKFDLQIQSSNLFDKVSPVVSHKVDLAVLAAVEIRGVSSPDHVFLPIPNWEHKENPETEEDVGPVVQHIYELRNNGPSSFSKAMLHLQWPYKYNNNTLLYILHYDIDGPMNCTSDMEINPLRIKISSLQTTEKNDTVAGQGERDHLITKRDLALSEGDIHTLGCGVAQCLKIVCQVGRLDRGKSAILYVKSLLWTETFMNKENQNHSYSLKSSASFNVIEFPYKNLPIEDITNSTLVTTNVTWGIQPAPMPVPVWVIILAVLAGLLLLAVLVFVMYRMGFFKRVRPPQEEQEREQLQPHENGEGNSET |
| Organism_Source | Homo sapiens |
| Functional_Classification | integrin |
| Cellular_Localization | Plasma membrane |
| Gene_Names | ITGAV |
| UniProt_ID | P06756 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Ligand 4(n=2) |
|---|---|
| Peptide_Sequence | RGDfVXRGDfV |
| Peptide_Length | 11 |
| Peptide_SMILES | CC(C)[C@H](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)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)O |
| Chemical_Modification | X5=PEG linker (n=2) |
| Cyclization_Method | Multi-point cyclization; R1<->V5; amide bond; R6<->V10; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1224.34 |
|---|---|
| Aliphatic_Index | 52.72727 |
| Aromaticity | 0.18182 |
| Average_Rotatable_Bonds | 3.54545 |
| Charge_at_pH_7 | -0.00113 |
| Isoelectric_Point | 6.45000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 16 |
| Number_of_Hydrogen_Bond_Donors | 20 |
| Topological_Polar_Surface_Area | 552.72000 |
| X_logP_energy | -5.58616 |
Interaction Information
| Affinity | IC50=0.16 nM |
|---|---|
| Affinity_Assay | ELISA |
| PDB_ID | None |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Synthesis and evaluation of bivalent, peptidomimetic antagonists of the AlphavBeta3 integrins. |
| Release_Year | 2010 |
| PMID | 20888763 |
| DOI | 10.1016/j.bmcl.2010.09.035 |