PPIRE19245

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 rat secretin
Peptide_Sequence HSDAELQSLLELQAQNDTSRGLHVLEL
Peptide_Length 27
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=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](CC(C)C)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(C)C)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3017.30
Aliphatic_Index 119.25926
Aromaticity 0.00000
Average_Rotatable_Bonds 3.85185
Charge_at_pH_7 -3.81398
Isoelectric_Point 4.26084
Hydrogen_Bond_Acceptors 44
Hydrogen_Bond_Donors 46
Topological_Polar_Surface_Area 1378.96000
X_logP_energy -15.57873
Interaction Information
Affinity Ki=2.7 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