PPIRE19326

Target Protein Information
Protein_Name Relaxin-3 receptor 1
Protein_Sequence MQMADAATIATMNKAAGGDKLAELFSLVPDLLEAANTSGNASLQLPDLWWELGLELPDGAPPGHPPGSGGAESADTEARVRILISVVYWVVCALGLAGNLLVLYLMKSMQGWRKSSINLFVTNLALTDFQFVLTLPFWAVENALDFKWPFGKAMCKIVSMVTSMNMYASVFFLTAMSVTRYHSVASALKSHRTRGHGRGDCCGRSLGDSCCFSAKALCVWIWALAALASLPSAIFSTTVKVMGEELCLVRFPDKLLGRDRQFWLGLYHSQKVLLGFVLPLGIIILCYLLLVRFIADRRAAGTKGGAAVAGGRPTGASARRLSKVTKSVTIVVLSFFLCWLPNQALTTWSILIKFNAVPFSQEYFLCQVYAFPVSVCLAHSNSCLNPVLYCLVRREFRKALKSLLWRIASPSITSMRPFTATTKPEHEDQGLQAPAPPHAAAEPDLLYYPPGVVVYSGGRYDLLPSSSAY
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names RXFP3
UniProt_ID Q9NSD7
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Peptide 5 (H3 B10-27 (13/17 HC))
Peptide_Sequence SGRXFIRXVIFTSGGSRW
Peptide_Length 18
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C
Chemical_Modification X4=Alpha methyl-Alpha pentenylalanine; X8=Alpha methyl-Alpha pentenylalanine
Cyclization_Method Main chain cyclization; X4<-->X8; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1940.19
Aliphatic_Index 59.44444
Aromaticity 0.16667
Average_Rotatable_Bonds 3.44444
Charge_at_pH_7 2.99797
Isoelectric_Point 12.80107
Hydrogen_Bond_Acceptors 26
Hydrogen_Bond_Donors 33
Topological_Polar_Surface_Area 840.43000
X_logP_energy -10.09799
Interaction Information
Affinity Ki=109.65 nM
Affinity_Assay Competition binding assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Development of a single chain peptide agonist of the relaxin 3 receptor using hydrocarbon stapling
Release_Year 2016
PMID 27464307
DOI 10.1021/acs.jmedchem.6b00265