PPIRE08176
Target Protein Information
| Protein_Name | Protein phosphatase 1A |
|---|---|
| Protein_Sequence | MGAFLDKPKMEKHNAQGQGNGLRYGLSSMQGWRVEMEDAHTAVIGLPSGLESWSFFAVYDGHAGSQVAKYCCEHLLDHITNNQDFKGSAGAPSVENVKNGIRTGFLEIDEHMRVMSEKKHGADRSGSTAVGVLISPQHTYFINCGDSRGLLCRNRKVHFFTQDHKPSNPLEKERIQNAGGSVMIQRVNGSLAVSRALGDFDYKCVHGKGPTEQLVSPEPEVHDIERSEEDDQFIILACDGIWDVMGNEELCDFVRSRLEVTDDLEKVCNEVVDTCLYKGSRDNMSVILICFPNAPKVSPEAVKKEAELDKYLECRVEEIIKKQGEGVPDLVHVMRTLASENIPSLPPGGELASKRNVIEAVYNRLNPYKNDDTDSTSTDDMW |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine/threonine phosphatases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PPM1A |
| UniProt_ID | P35813 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | c(MpSIpYVA) |
|---|---|
| Peptide_Sequence | MpSIpYVA |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C |
| Chemical_Modification | S2=phosphorylation; Y4=phosphorylation |
| Cyclization_Method | Side chain-side chain cyclization; M1<->A7; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 877.07 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 2.75000 |
| Charge_at_pH_7 | -0.00287 |
| Isoelectric_Point | 6.09320 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 289.90000 |
| X_logP_energy | -0.78000 |
Interaction Information
| Affinity | KD=8.9 uM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 6B67 |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A trapped human PPM1A-phosphopeptide complex reveals structural features critical for regulation of PPM protein phosphatase activity. |
| Release_Year | 2018 |
| PMID | 29602904 |
| DOI | 10.1074/jbc.RA117.001213 |