PPIPT00158

Target Protein Information
Protein_Name Melanocyte-stimulating hormone receptor
Protein_Sequence MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVVATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVIDVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFIAYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGAVTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAFHSQELRRTLKEVLTCSW
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names MC1R
UniProt_ID Q01726
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name MSH C
Peptide_Sequence XHfRWXC
Peptide_Length 7
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CS)C(=O)O
Chemical_Modification X1=norleucine; X6=2,3-diaminopropionic acid
Cyclization_Method Side chain-side chain cyclization; X6<->C7; other bonds
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 861.98
Aliphatic_Index 0.00000
Aromaticity 0.28571
Average_Rotatable_Bonds 3.42857
Charge_at_pH_7 1.02692
Isoelectric_point 8.55748
Number_of_Hydrogen_Bond_Acceptors 11
Number_of_Hydrogen_Bond_Donors 14
Topological_Polar_Surface_Area 344.29000
X_logP_energy -2.30453
Interaction Information
Affinity KD=1.7 nM
Affinity_Assay Competitive binding assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Patent
Title CYCLIC PEPTIDE ANALOGS OF MELANOCORTIN AND AMANITIN AND METHODS OF MAKING SUCH
Release_Year 2021
Patent_ID US20210024605A1