PPIRE10423

Target Protein Information
Protein_Name Renin
Protein_Sequence MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
Organism_Source Homo sapiens
Functional_Classification aspartic proteases
Cellular_Localization Extracellular
Gene_Names REN
UniProt_ID P00797
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name AFEDGFEWVSFK
Peptide_Sequence AFEDGFEWVSFK
Peptide_Length 12
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)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 1461.59
Aliphatic_Index 32.50000
Aromaticity 0.33333
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 -1.99831
Isoelectric_Point 3.92755
Number_of_Hydrogen_Bond_Acceptors 18
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 557.36000
X_logP_energy -2.18390
Interaction Information
Affinity IC50=1.47 mM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 2V0Z
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Identification of renin inhibitors peptides from amaranth proteins by docking protocols
Release_Year 2019
PMID None
DOI 10.1016/j.jff.2019.103683