PPIRE09072

Target Protein Information
Protein_Name Melanocortin receptor 4
Protein_Sequence MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names MC4R
UniProt_ID P32245
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name PG-977
Peptide_Sequence HXDPfRWGK
Peptide_Length 9
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)CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; D3<->K9; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1099.22
Aliphatic_Index 0.00000
Aromaticity 0.22222
Average_Rotatable_Bonds 3.55556
Charge_at_pH_7 1.08904
Isoelectric_Point 9.69702
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 16
Topological_Polar_Surface_Area 457.02000
X_logP_energy -3.15483
Interaction Information
Affinity IC50=7.8 nM
Affinity_Assay radioligand binding assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Structure-activity studies of new melanocortin peptides containing an aromatic amino acid at the N-terminal position.
Release_Year 2006
PMID 16303211
DOI 10.1016/j.peptides.2005.01.032