PPIRE02801

Target Protein Information
Protein_Name Oxytocin receptor
Protein_Sequence MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
Organism_Source Homo sapiens
Functional_Classification receptor
Cellular_Localization Plasma membrane
Gene_Names OXTR
UniProt_ID P30559
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Y2W
Peptide_Sequence CWIQNCPLG
Peptide_Length 9
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
Chemical_Modification None
Cyclization_Method C1<->C6, side chain cyclization, disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1033.23
Aliphatic_Index 86.66667
Aromaticity 0.11111
Average_Rotatable_Bonds 3.22222
Charge_at_pH_7 -0.12597
Isoelectric_Point 5.82601
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 14
Topological_Polar_Surface_Area 389.30000
X_logP_energy -2.76900
Interaction Information
Affinity KD=44 nM
Affinity_Assay TGF-alpha shedding assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Agonist/Antagonist Activity of Oxytocin Variants Obtained from Free Cyclic Peptide Libraries Generated via Amino Acid Substitution.
Release_Year 2021
PMID 34841168
DOI 10.1021/acsomega.1c04982