PPIRE06538
Target Protein Information
| Protein_Name | Protein phosphatase 3 catalytic subunit alpha |
|---|---|
| Protein_Sequence | MSEPKAIDPKLSTTDRVVKAVPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEESVALRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYVDRGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYDACMDAFDCLPLAALMNQQFLCVHGGLSPEINTLDDIRKLDRFKEPPAYGPMCDILWSDPLEDFGNEKTQEHFTHNTVRGCSYFYSYPAVCEFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFPSLITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGEKVTEMLVNVLNICSDDELGSEEDGFDGATAAARKEVIRNKIRAIGKMARVFSVLREESESVLTLKGLTPTGMLPSGVLSGGKQTLQSATVEAIEADEAIKGFSPQHKITSFEEAKGLDRINERMPPRRDAMPSDANLNSINKALTSETNGTDSNGSNSSNIQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine/threonine phosphatases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PPP3CA |
| UniProt_ID | Q08209 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | NHE1 PxIxIT peptide |
|---|---|
| Peptide_Sequence | PVITID |
| Peptide_Length | 6 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC)[C@@H](C)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 656.78 |
|---|---|
| Aliphatic_Index | 178.33333 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.16667 |
| Charge_at_pH_7 | -1.00157 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 9 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 252.36000 |
| X_logP_energy | -1.14930 |
Interaction Information
| Affinity | KD=6.5 uM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Molecular basis for the binding and selective dephosphorylation of Na+/H+ exchanger 1 by calcineurin. |
| Release_Year | 2019 |
| PMID | 31375679 |
| DOI | 10.1038/s41467-019-11391-7 |