PPIRE07109
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 LxVP peptide |
|---|---|
| Peptide_Sequence | NNYLTVP |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[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 | 819.91 |
|---|---|
| Aliphatic_Index | 97.14286 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 3.14286 |
| Charge_at_pH_7 | -0.00287 |
| Isoelectric_Point | 6.09320 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 11 |
| Topological_Polar_Surface_Area | 355.77000 |
| X_logP_energy | -3.40470 |
Interaction Information
| Affinity | KD=4.3 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 |