PPIRE06134
Target Protein Information
| Protein_Name | Serine/threonine-protein phosphatase PP1-gamma catalytic subunit |
|---|---|
| Protein_Sequence | MADLDKLNIDSIIQRLLEVRGSKPGKNVQLQENEIRGLCLKSREIFLSQPILLELEAPLKICGDIHGQYYDLLRLFEYGGFPPESNYLFLGDYVDRGKQSLETICLLLAYKIKYPENFFLLRGNHECASINRIYGFYDECKRRYNIKLWKTFTDCFNCLPIAAIVDEKIFCCHGGLSPDLQSMEQIRRIMRPTDVPDQGLLCDLLWSDPDKDVLGWGENDRGVSFTFGAEVVAKFLHKHDLDLICRAHQVVEDGYEFFAKRQLVTLFSAPNYCGEFDNAGAMMSVDETLMCSFQILKPAEKKKPNATRPVTPPRGMITKQAKK |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine/threonine protein phosphatases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PPP1CC |
| UniProt_ID | P36873 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | motuporin |
|---|---|
| Peptide_Sequence | XXXVX |
| Peptide_Length | 5 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)NCC(=O)O |
| Chemical_Modification | X1=D-erythro-beta-methyl aspartic acid; X2=3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-deca-4,6-dienoic acid; X3=N-methyldehydrobutyrine; X5=D-glutamic acid |
| Cyclization_Method | Main chain-main chain cyclization; X1<->X5; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 345.36 |
|---|---|
| Aliphatic_Index | 58.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.00000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 6 |
| Topological_Polar_Surface_Area | 179.72000 |
| X_logP_energy | -3.48090 |
Interaction Information
| Affinity | IC50=0.06 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 2BCD |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Crystal structures of protein phosphatase-1 bound to motuporin and dihydromicrocystin-LA: elucidation of the mechanism of enzyme inhibition by cyanobacterial toxins. |
| Release_Year | 2006 |
| PMID | 16343532 |
| DOI | 10.1016/j.jmb.2005.11.019 |