PPIRE07431

Target Protein Information
Protein_Name Melanocortin receptor 3
Protein_Sequence MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names MC3R
UniProt_ID P41968
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Ac-Nle-cyclo[Asp-Pro-dPhe-Arg-Trp-Lys]-NH2
Peptide_Sequence XDPfRWK
Peptide_Length 7
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification X1=norleucine
Cyclization_Method Side chain-side chain cyclization; D2<->K7; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 905.02
Aliphatic_Index 0.00000
Aromaticity 0.28571
Average_Rotatable_Bonds 3.71429
Charge_at_pH_7 0.99813
Isoelectric_Point 9.69502
Number_of_Hydrogen_Bond_Acceptors 11
Number_of_Hydrogen_Bond_Donors 13
Topological_Polar_Surface_Area 370.14000
X_logP_energy -1.72163
Interaction Information
Affinity IC50=23 nM
Affinity_Assay radioligand binding assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Design of a new peptidomimetic agonist for the melanocortin receptors based on the solution structure of the peptide ligand, Ac-Nle-cyclo[Asp-Pro-DPhe-Arg-Trp-Lys]-NH(2).
Release_Year 2003
PMID 12824029
DOI 10.1016/S0960-894X(03)00412-8