PPIRE09844
Target Protein Information
| Protein_Name | Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform |
|---|---|
| Protein_Sequence | MDEKVFTKELDQWIEQLNECKQLSESQVKSLCEKAKEILTKESNVQEVRCPVTVCGDVHGQFHDLMELFRIGGKSPDTNYLFMGDYVDRGYYSVETVTLLVALKVRYRERITILRGNHESRQITQVYGFYDECLRKYGNANVWKYFTDLFDYLPLTALVDGQIFCLHGGLSPSIDTLDHIRALDRLQEVPHEGPMCDLLWSDPDDRGGWGISPRGAGYTFGQDISETFNHANGLTLVSRAHQLVMEGYNWCHDRNVVTIFSAPNYCYRCGNQAAIMELDDTLKYSFLQFDPAPRRGEPHVTRRTPDYFL |
| Organism_Source | Oryctolagus cuniculus |
| Functional_Classification | serine/threonine phosphatases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PPP2CA |
| UniProt_ID | P67777 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Gramicidin-S |
|---|---|
| Peptide_Sequence | VXLFPVXLFP |
| Peptide_Length | 10 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Main chain-main chain cyclization; V1<->P10; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1045.29 |
|---|---|
| Aliphatic_Index | 136.00000 |
| Aromaticity | 0.20000 |
| Average_Rotatable_Bonds | 2.70000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 307.64000 |
| X_logP_energy | 0.92630 |
Interaction Information
| Affinity | IC50=80 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Isolation, mass spectrometric characterization, and protein phosphatase inhibition properties of cyclic peptide analogues of gramicidin-S from Bacillus brevis (Nagano strain). |
| Release_Year | 1992 |
| PMID | 1381222 |
| DOI | 10.1002/bms.1200210802 |