PPIRE16632

Target Protein Information
Protein_Name Beta-arrestin-1
Protein_Sequence MGDKGTRVFKKASPNGKLTVYLGKRDFVDHIDLVDPVDGVVLVDPEYLKERRVYVTLTCAFRYGREDLDVLGLTFRKDLFVANVQSFPPAPEDKKPLTRLQERLIKKLGEHAYPFTFEIPPNLPCSVTLQPGPEDTGKACGVDYEVKAFCAENLEEKIHKRNSVRLVIRKVQYAPERPGPQPTAETTRQFLMSDKPLHLEASLDKEIYYHGEPISVNVHVTNNTNKTVKKIKISVRQYADICLFNTAQYKCPVAMEEADDTVAPSSTFCKVYTLTPFLANNREKRGLALDGKLKHEDTNLASSTLLREGANREILGIIVSYKVKVKLVVSRGGLLGDLASSDVAVELPFTLMHPKPKEEPPHREVPENETPVDTNLIELDTNDDDIVFEDFARQRLKGMKDDKEEEEDGTGSPQLNNR
Organism_Source Homo sapiens
Functional_Classification adaptor proteins
Cellular_Localization Cytoplasm
Gene_Names ARRB1
UniProt_ID P49407
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name u-adaptin(383-402)
Peptide_Sequence DDIVFEDFARQRLKGMKDD
Peptide_Length 19
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2298.56
Aliphatic_Index 61.57895
Aromaticity 0.10526
Average_Rotatable_Bonds 4.26316
Charge_at_pH_7 -1.99860
Isoelectric_Point 4.29283
Hydrogen_Bond_Acceptors 32
Hydrogen_Bond_Donors 35
Topological_Polar_Surface_Area 1029.85000
X_logP_energy -8.94896
Interaction Information
Affinity KD=2.1 uM
Affinity_Assay binding assay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title HOPPI-NMR: Hot-Peptide-Based Screening Assay for Inhibitors of Protein-1rotein Interactions by NMR
Release_Year 2020
PMID 32435424
DOI 10.1021/acsmedchemlett.9b00620