PPIRE06701

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 WRAWAP
Peptide_Sequence WRAWAP
Peptide_Length 6
Peptide_SMILES C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=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 785.90
Aliphatic_Index 33.33333
Aromaticity 0.33333
Average_Rotatable_Bonds 3.00000
Charge_at_pH_7 0.99798
Isoelectric_Point 10.55000
Number_of_Hydrogen_Bond_Acceptors 8
Number_of_Hydrogen_Bond_Donors 11
Topological_Polar_Surface_Area 293.51000
X_logP_energy 0.07957
Interaction Information
Affinity IC50=0.21 mM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure-based design and optimization of antihypertensive peptides to obtain high inhibitory potency against both renin and angiotensin I-converting enzyme.
Release_Year 2015
PMID 26524626
DOI 10.1080/1062936X.2015.1104725