PPIRE01837
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 | inhibitor 3 |
|---|---|
| Peptide_Sequence | XHPFCXLF |
| Peptide_Length | 8 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | X1=isobuteryl;X6=statyl |
| Cyclization_Method | C5<->C8, side chain cyclization, disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Other |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 877.03 |
|---|---|
| Aliphatic_Index | 48.75000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 2.87500 |
| Charge_at_pH_7 | 0.02692 |
| Isoelectric_Point | 7.35903 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 286.91000 |
| X_logP_energy | -1.01200 |
Interaction Information
| Affinity | Ki=380 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | STRUCTURES OF COMPLEXES OF RHIZOPUSPEPSIN WITH PEPSTATIN AND OTHER STATINE-CONTAINING INHIBITORS |
| Release_Year | 1992 |
| PMID | None |
| DOI | 10.2210/pdb5apr/pdb |