PPIRE08626

Target Protein Information
Protein_Name Integrin beta
Protein_Sequence MARALCLLHALWLLEWVQLLLGPGAAPPTWALNLDPVHLTIYTGPNGSHFGFSLDFYKKSHGSVSIVVGAPRTLGRNLEETGGVFLCPWKAKSVQCVALSFNLDDETRNVGAQTFQTFKARQGLGASVLTWRDNVVACAPWQHWNVLEKNEEAEKTPVGGCFVAQLQNSGRAEFSPCRANLLSLVYVESKFNDRRYCEVGFSSAVTQAGELVLGAPGGYYFLGLMARAPIADIISSYRPGTLLWHVPTQKLTFDSDLPEYYESYLGYSVAVGEFDRNPNTTEYILGGPTWSMTLGAVEIFTSKHQRLHLLQGEQVASYFGHSVAVTDVNGDGRHDLLVGAPLYMESRADHKLAEVGRVYLFLQSRGHHSLGTPSLLLTGTQLYGRFGSAIAPLGDLNRDGYNDVAVAAPYGGPTGQGQVSVFLGQSEGLNSQPSQVLHSPFAAGSAFGFSLRGATDIDDNGYPDLLVGAYGADKVVVYRAQPVVTATVQLMVQESLNPAVKNCVQPQTKTPVSCFTIQMCVGATGHNIPEKLRLNAELQLDRQKPHQSRRVLLLASQQASTVLDVDLTWRQSPTCHNTTAFLRDEADFRDKLSPIVLSFNVSLQPEKNGDALTFMLHGDTHVQEQTRIILDCGEDQVCVPKLQLSANTTGSPLLVGADNVLELHVVAANEGEGAHEAELVVHLPPGAHYMQALSNTKSFERLICTQKKENETKVVLCELGNPMKGDTQIEITMLVSVGNLEEAGEHVSFRLQIRSKNSQNPNSETVVLDVQVRAEAHLELRGNSFPASLLMAAEGDWENSSDNLGPKVEHTYELHNNGPSTVSGLHLRLHLPGQSQTSDLLYIVDIQTQGGLQCSPQPSPNPRQLDWGLHSPTPSPVYPAHHKRNRRQAVLPGQKQPSSLQDPILLSCDSAPCTVVHCDLPEMARGQRAMVTAQAFLWLPSLRQRPLDQFVLRSHAWFNVSSLPYAVPALSLPSGEAQVQTQVLRVLEDREVPLWWMLVGVLGGLLLLTLLVLAMWKCGFFKRNRPPLEESDEEEE/MRARPLWAAVLVVGALAGVGVGGPNICATRGVSSCQQCLAVSPMCAWCSDEDLPLGTPRCNLEENLLNDHCNPKYIEFPISEARILEARPLSDKGSGDSSQITQVSPQRILLRLRPDDSKSFSVQVRQVEDYPVDIYYLMDLSFSMKDDLESIQNLGTKLASQMRKLTSNLRIGFGAFVDKPVSPYMYISPPQALKNPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQNVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLITEKLSQKNINLIFAVTEGVVSLYQNYSELIPGTTVGVLSSNSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCVGLKIGDTVSFSIEAKVRGCPREKEKSFTIKPVGFKDSLTVQVTFNCDCDCQAQAEPDSPRCNNGNGTFECGVCHCGPGWLGFQCECSEKDYRPSQQDECSPQQGQPICSQRGECLCGQCVCHSSDFGKITGKYCECDDFSCVHYKGEMCSGHGQCSCGDCLCDSDWTGFYCNCTTRTDTCLSSNGLLCSGRGNCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKGCVECKKFNRGSLYEANTCNRYCRDEIESVKELQDSGKNAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDILVVLLSVMGAILLIGLATLLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT
Organism_Source Sus scrofa/Sus scrofa
Functional_Classification integrin
Cellular_Localization Plasma membrane
Gene_Names ITGA2B/ITGB3
UniProt_ID F1RQY8/Q95JH1
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name cElegantin
Peptide_Sequence CRRARGDDLDDYC
Peptide_Length 13
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method side chain-side chain cyclization; C1<->C13; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1557.68
Aliphatic_Index 37.69231
Aromaticity 0.07692
Average_Rotatable_Bonds 3.92308
Charge_at_pH_7 -1.12504
Isoelectric_Point 4.45164
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 30
Topological_Polar_Surface_Area 767.65000
X_logP_energy -9.59019
Interaction Information
Affinity IC50=18.1 uM
Affinity_Assay ELISA
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Effect of amino acids near the RGD sequence on binding activities between AlphaIIbBeta3 integrin and fibrinogen in the presence of RGD-containing synthetic peptides from elegantin and angustatin.
Release_Year 2017
PMID 28887046
DOI 10.1016/j.peptides.2017.09.004