PPIRE02582
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 | CO(CH2)2CHPhCO-D-Phe-Lys-D-Trp-NH(CH2)2CHMe2 |
|---|---|
| Peptide_Sequence | fKw |
| Peptide_Length | 3 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | f1<->w3, main chain cyclization, amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Other |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 479.58 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.66667 |
| Average_Rotatable_Bonds | 4.33333 |
| Charge_at_pH_7 | 0.99769 |
| Isoelectric_Point | 9.70000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 5 |
| Number_of_Hydrogen_Bond_Donors | 6 |
| Topological_Polar_Surface_Area | 163.33000 |
| X_logP_energy | 1.46360 |
Interaction Information
| Affinity | IC50=0.026 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Inhibitors of human renin. Cyclic peptide analogues containing a D-Phe-Lys-D-Trp sequence. |
| Release_Year | 1990 |
| PMID | 2202829 |
| DOI | 10.1021/jm00171a034 |