PPIRE04085
Target Protein Information
| Protein_Name | Triple specificity protein phosphatase PtpB |
|---|---|
| Protein_Sequence | MAVRELPGAWNFRDVADTATALRPGRLFRSSELSRLDDAGRATLRRLGITDVADLRSSREVARRGPGRVPDGIDVHLLPFPDLADDDADDSAPHETAFKRLLTNDGSNGESGESSQSINDAATRYMTDEYRQFPTRNGAQRALHRVVTLLAAGRPVLTHCFAGKDRTGFVVALVLEAVGLDRDVIVADYLRSNDSVPQLRARISEMIQQRFDTELAPEVVTFTKARLSDGVLGVRAEYLAAARQTIDETYGSLGGYLRDAGISQATVNRMRGVLLG |
| Organism_Source | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
| Functional_Classification | protein tyrosine phosphatases |
| Cellular_Localization | Extracellular |
| Gene_Names | ptpB |
| UniProt_ID | I6WXK4 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | cyclo(L-Val-L-Pro) |
|---|---|
| Peptide_Sequence | VP |
| Peptide_Length | 2 |
| Peptide_SMILES | CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Main chain-main chain cyclization; V1<->P2; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 214.26 |
|---|---|
| Aliphatic_Index | 145.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 1.50000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 3 |
| Number_of_Hydrogen_Bond_Donors | 2 |
| Topological_Polar_Surface_Area | 83.63000 |
| X_logP_energy | 0.04530 |
Interaction Information
| Affinity | IC50=25.9 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Peptides from the Soft Coral-associated Fungus Simplicillium sp. SCSIO41209. |
| Release_Year | 2018 |
| PMID | 30006088 |
| DOI | 10.1016/j.phytochem.2018.06.014 |