PPIRE02551

Target Protein Information
Protein_Name Renin
Protein_Sequence MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
Organism_Source Homo sapiens
Functional_Classification Enzyme
Cellular_Localization Extracellular
Gene_Names REN
UniProt_ID P00797
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Peptide 4
Peptide_Sequence PHPFHXVYK
Peptide_Length 9
Peptide_SMILES CC(C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification X6=4(S)-amino-3(S)-hydroxy-6-methylheptanoic acid
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1081.24
Aliphatic_Index 32.22222
Aromaticity 0.22222
Average_Rotatable_Bonds 3.22222
Charge_at_pH_7 1.17866
Isoelectric_Point 9.30306
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 13
Topological_Polar_Surface_Area 376.95000
X_logP_energy -1.25340
Interaction Information
Affinity IC50=46 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Analysis of structure-activity relationships in renin substrate analogue inhibitory peptides.
Release_Year 1987
PMID 3302256
DOI 10.1021/jm00391a005