PPIRE17470

Target Protein Information
Protein_Name Sex peptide receptor
Protein_Sequence MDNYTDVLYQYRLAPSASPEMEMELADPRQMVRGFHLPTNESQLEIPDYGNESLDYPNYQQMVGGPCRMEDNNISYWNLTCDSPLEYAMPLYGYCMPFLLIITIISNSLIVLVLSKKSMATPTNFVLMGMAICDMLTVIFPAPGLWYMYTFGNHYKPLHPVSMCLAYSIFNEIMPAMCHTISVWLTLALAVQRYIYVCHAPMARTWCTMPRVRRCTAYIALLAFLHQLPRFFDRTYMPLVIEWNGSPTEVCHLETSMWVHDYIGVDLYYTSYYLFRVLFVHLLPCIILVTLNILLFAAMRQAQERRKLLFRENRKKECKKLRETNCTTLMLIVVVSVFLLAEIPIAVVTAMHIVSSLIIEFLDYGLANICIMLTNFFLVFSYPINFGIYCGMSRQFRETFKEIFLGRLMAKKDSSTKYSIVNGARTCTNTNETVL
Organism_Source Drosophila melanogaster
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names SPR
UniProt_ID Q8SWR3
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Sex Peptide
Peptide_Sequence XTKFXIXSXNXRDKWCRLNLGPAWGGRC
Peptide_Length 28
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification X1=hydroxyproline; X5=hydroxyproline; X7=hydroxyproline; X9=hydroxyproline; X11=hydroxyproline; C16<-->C28=disulfide bond
Cyclization_Method Side chain-side chain cyclization; C16<-->C28; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2964.37
Aliphatic_Index 45.35714
Aromaticity 0.10714
Average_Rotatable_Bonds 3.42857
Charge_at_pH_7 3.87388
Isoelectric_Point 10.76778
Hydrogen_Bond_Acceptors 41
Hydrogen_Bond_Donors 48
Topological_Polar_Surface_Area 1273.49000
X_logP_energy -15.59979
Interaction Information
Affinity EC50=4.7 nM
Affinity_Assay luminescence assay (aequorin)
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Molecular characterization of ligand selectivity of the sex peptide receptors of Drosophila melanogaster and Aedes aegypti
Release_Year 2020
PMID 32971207
DOI 10.1016/j.ibmb.2020.103472