PPIRE05182
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 | Cypate-cyclo(CRGDC)-NH2 |
|---|---|
| Peptide_Sequence | XCRGDC |
| Peptide_Length | 6 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O |
| Chemical_Modification | X1=Cypate; C6=amide |
| Cyclization_Method | Side chain-side chain cyclization; C2<->C6; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Cypate |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 609.67 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.16667 |
| Charge_at_pH_7 | -0.12552 |
| Isoelectric_Point | 6.06458 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 308.02000 |
| X_logP_energy | -5.31733 |
Interaction Information
| Affinity | IC50=4.6 uM |
|---|---|
| Affinity_Assay | competitive radioligand binding assay |
| PDB_ID | None |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Synthesis and evaluation of two NIR fluorescent cyclic RGD penta-peptides for targeting integrins |
| Release_Year | 2006 |
| PMID | None |
| DOI | 10.1117/12.648105 |