PPIPT01221

Target Protein Information
Protein_Name Integrin beta-3
Protein_Sequence MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLGSPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRPDDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFGAFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSRNRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCHVGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLSMDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGTFECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFGKITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLLCSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRYCRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDILVVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTFTNITYRGT
Organism_Source Homo sapiens
Functional_Classification Integrin u subunit (cell adhesion receptor)
Cellular_Localization Plasma membrane
Gene_Names ITGB3
UniProt_ID P05106
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name EETI 2.5D
Peptide_Sequence GCPQGRGDWAPTSCKQDSDCLAGCVCGPNGFCG
Peptide_Length 33
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method Multi-point cyclization; C1<->C4; C2<->C5; C3<->C6; disulfide bond
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3290.65
Aliphatic_Index 26.66667
Aromaticity 0.06061
Average_Rotatable_Bonds 3.03030
Charge_at_pH_7 -1.37282
Isoelectric_point 4.31174
Number_of_Hydrogen_Bond_Acceptors 51
Number_of_Hydrogen_Bond_Donors 51
Topological_Polar_Surface_Area 1373.72000
X_logP_energy -21.27413
Interaction Information
Affinity KD=1.72 nM
Affinity_Assay cell binding assay (flow cytometry)
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title FUSION PROTEINS COMPRISING AN ENGINEERED KNOTTIN PEPTIDE AND USES THEREOF
Release_Year 2021
Patent_ID US20210206824A1