PPIRE19325

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 Analogue 2 (A2)
Peptide_Sequence RAAPYGVRLCGREFIRAVIFTCGGSRW
Peptide_Length 27
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=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](CS)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 None
Cyclization_Method Side chain cyclization; C10<-->C22; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification None
C-terminal_Modification None
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3042.58
Aliphatic_Index 75.92593
Aromaticity 0.14815
Average_Rotatable_Bonds 3.51852
Charge_at_pH_7 3.87494
Isoelectric_Point 10.94697
Hydrogen_Bond_Acceptors 39
Hydrogen_Bond_Donors 49
Topological_Polar_Surface_Area 1234.41000
X_logP_energy -10.88355
Interaction Information
Affinity Ki=13.49 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