PPIRE09034

Target Protein Information
Protein_Name Integrin alpha-5
Protein_Sequence MGSRTPESPLHAVQLRWGPRRRPPLLPLLLLLLPPPPRVGGFNLDAEAPAVLSGPPGSFFGFSVEFYRPGTDGVSVLVGAPKANTSQPGVLQGGAVYLCPWGASPTQCTPIEFDSKGSRLLESSLSSSEGEEPVEYKSLQWFGATVRAHGSSILACAPLYSWRTEKEPLSDPVGTCYLSTDNFTRILEYAPCRSDFSWAAGQGYCQGGFSAEFTKTGRVVLGGPGSYFWQGQILSATQEQIAESYYPEYLINLVQGQLQTRQASSIYDDSYLGYSVAVGEFSGDDTEDFVAGVPKGNLTYGYVTILNGSDIRSLYNFSGEQMASYFGYAVAATDVNGDGLDDLLVGAPLLMDRTPDGRPQEVGRVYVYLQHPAGIEPTPTLTLTGHDEFGRFGSSLTPLGDLDQDGYNDVAIGAPFGGETQQGVVFVFPGGPGGLGSKPSQVLQPLWAASHTPDFFGSALRGGRDLDGNGYPDLIVGSFGVDKAVVYRGRPIVSASASLTIFPAMFNPEERSCSLEGNPVACINLSFCLNASGKHVADSIGFTVELQLDWQKQKGGVRRALFLASRQATLTQTLLIQNGAREDCREMKIYLRNESEFRDKLSPIHIALNFSLDPQAPVDSHGLRPALHYQSKSRIEDKAQILLDCGEDNICVPDLQLEVFGEQNHVYLGDKNALNLTFHAQNVGEGGAYEAELRVTAPPEAEYSGLVRHPGNFSSLSCDYFAVNQSRLLVCDLGNPMKAGASLWGGLRFTVPHLRDTKKTIQFDFQILSKNLNNSQSDVVSFRLSVEAQAQVTLNGVSKPEAVLFPVSDWHPRDQPQKEEDLGPAVHHVYELINQGPSSISQGVLELSCPQALEGQQLLYVTRVTGLNCTTNHPINPKGLELDPEGSLHHQQKREAPSRSSASSGPQILKCPEAECFRLRCELGPLHQQESQSLQLHFRVWAKTFLQREHQPFSLQCEAVYKALKMPYRILPRQLPQKERQVATAVQWTKAEGSYGVPLWIIILAILFGLLLLGLLIYILYKLGFFKRSLPYGTAMEKAQLKPPATSDA
Organism_Source Homo sapiens
Functional_Classification integrins
Cellular_Localization Plasma membrane
Gene_Names ITGA5
UniProt_ID P08648
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CT3RGDcT3NWaCT3
Peptide_Sequence CRGDCNWaC
Peptide_Length 9
Peptide_SMILES C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Multi-point cyclization; C1<->C5; other bonds; C1<->C9; other bonds; C5<->C9; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1027.16
Aliphatic_Index 11.11111
Aromaticity 0.11111
Average_Rotatable_Bonds 3.33333
Charge_at_pH_7 -0.18750
Isoelectric_Point 5.99786
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 454.20000
X_logP_energy -5.94523
Interaction Information
Affinity IC50=650 nM
Affinity_Assay ELISA
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title High-Affinity Alpha5Beta1-Integrin-Selective Bicyclic RGD Peptides Identified via Screening of Designed Random Libraries.
Release_Year 2019
PMID 31269394
DOI 10.1021/acscombsci.9b00081