PPIRE19244

Target Protein Information
Protein_Name Secretin receptor
Protein_Sequence MLSTMRPRLSLLLLRLLLLTKAAHTVGVPPRLCDVRRVLLEERAHCLQQLSKEKKGALGPETASGCEGLWDNMSCWPSSAPARTVEVQCPKFLLMLSNKNGSLFRNCTQDGWSETFPRPDLACGVNINNSFNERRHAYLLKLKVMYTVGYSSSLAMLLVALSILCSFRRLHCTRNYIHMHLFVSFILRALSNFIKDAVLFSSDDVTYCDAHKVGCKLVMIFFQYCIMANYAWLLVEGLYLHTLLAISFFSERKYLQAFVLLGWGSPAIFVALWAITRHFLENTGCWDINANASVWWVIRGPVILSILINFIFFINILRILMRKLRTQETRGSETNHYKRLAKSTLLLIPLFGIHYIVFAFSPEDAMEVQLFFELALGSFQGLVVAVLYCFLNGEVQLEVQKKWRQWHLQEFPLRPVAFNNSFSNATNGPTHSTKASTEQSRSIPRASII
Organism_Source Rattus norvegicus
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names Sctr
UniProt_ID P23811
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name [Tyr10-Bpa23]rat secretin
Peptide_Sequence HSDAELQSLYELQAQNDTSRGXLHVLE
Peptide_Length 27
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C
Chemical_Modification p-benzoyl-L-phenylalanine at X23
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3011.21
Aliphatic_Index 90.37037
Aromaticity 0.03704
Average_Rotatable_Bonds 3.77778
Charge_at_pH_7 -3.81483
Isoelectric_Point 4.26084
Hydrogen_Bond_Acceptors 45
Hydrogen_Bond_Donors 47
Topological_Polar_Surface_Area 1399.19000
X_logP_energy -17.09123
Interaction Information
Affinity Ki=47.1 nM
Affinity_Assay Radioligand binding assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Molecular Approximations between Residues 21 and 23 of Secretin and Its Receptor: Development of a Model for Peptide Docking with the Amino Terminus of the Secretin Receptor
Release_Year 2007
PMID 17475809
DOI 10.1124/mol.107.035402