PPIRE14776

Target Protein Information
Protein_Name None
Protein_Sequence MARALGPLPAFWFLEWALLLLGPGAGPPAWALNLDPVQLTIYTGLNGSHFGFSLDFYKDSHGSVAIVVGAPRTLGLGQKETGGVFLCPWKAEGSPCSLLSFNLSDEYRKTSSQLFQTFRARQGLGASVVSWNDIIVACAPWQQWNVLEKAAEAEKTPVGGCFVAHLPSGRRAEYSPCRGNTMSHVYEKMYLRDLRSCEAGFSSVITQEGELSVRPPPLSRYSPGVLLWTVPNQNFTFDYSNRKYFDGYRGYSVAVGEFDGDLSTTEYVLGAPTWSWTMGAVEILDSYFYRLHRLQGEQMASYFGHSVAVTDVNGDGRHDLLVGAPLFMASQADHKLAEVGRVYLFLQLQGPHLLGAPSLLLTGTQLYGRFGSAIAPLGDLNRDGYNDVAVAAPYGGPSGRGQVLVYLGQSEGLNPHPSQVLDSPFPAGSAFGFCLRGATDIDDNGYPDLLVGAYGADKVVVYRAQPVISLNPAVKNCVLHQTNTPVSCFNIQMCVGVTGHNIPQRLYLQAELQLDRQKPRQGRRVLLLGSQQASTTLSMDLGGRQSRLCHNTTAFLRDEADFRDKLSPIVLSFNVSLQPKEAGVAPAVVLHGNTHVQEQTRIILECGEDDVCVPQLHLTASLKGSPLLIGADNVLELQMVAANDGEGAYEAELVVHLPLGAHYMRAVSTMEGLERLICNQRKENQTKAVLCELGNPMKQARIGITMLVSVGNLEDAGESVSFQLQIRSKNSQNPNSEAVLLAVPVRAAAQVELRGNSFPASLVLAEEGDQEQNSLDLKVEHTYELHNNGPGTVRGLHLTIHLPGQSQPSDLLYILGIEPQGGLQCSPQPSPNPLKINWRLPTPSPSPMHPGYRRERRHADLLEPQPSSAAGLRDPVLVSCDSAPCTVVQCELQEMARGQRAMVTVLALLGLSSLRERPLDQFVLQSQAWFNVSSLPYAVPALSLPSGEALVQTQLLRVLEEKAVPIWWVLVGALGGLLLLILLVLAMWKVGFFKRNRPPLEEEDEDEE
Organism_Source Oryctolagus cuniculus
Functional_Classification integrins
Cellular_Localization Plasma membrane
Gene_Names ITGA2B
UniProt_ID G1SJE1
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name RGD-proinsulin
Peptide_Sequence FVNQHLCGSHLVEALYLVCGERGFFYTPKTCRGDSCGIVEQSCTSISSLYQLENYCN
Peptide_Length 57
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C
Chemical_Modification None
Cyclization_Method Side chain cyclization; C7<->C43; disulfide bond; C19<->C56; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 6385.21
Aliphatic_Index 76.84211
Aromaticity 0.12281
Average_Rotatable_Bonds 3.61404
Charge_at_pH_7 -2.18820
Isoelectric_Point 5.50167
Number_of_Hydrogen_Bond_Acceptors 93
Number_of_Hydrogen_Bond_Donors 96
Topological_Polar_Surface_Area 2599.34000
X_logP_energy -28.63696
Interaction Information
Affinity IC50=0.35 uM
Affinity_Assay platelet aggregation assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Structural basis of peptide binding and presentation by the type I diabetes-associated MHC class II molecule of NOD mice.
Release_Year 2000
PMID None
DOI 10.1023/A:1005648120432