PPIRE19479
Target Protein Information
| Protein_Name | Tyrosine-protein phosphatase YopH |
|---|---|
| Protein_Sequence | MNLSLSDLHRQVSRLVQQESGDCTGKLRGNVAANKETTFQGLTIASGARESEKVFAQTVLSHVANVVLTQEDTAKLLQSTVKHNLNNYDLRSVGNGNSVLVSLRSDQMTLQDAKVLLEAALRQESGARGHVSSHSHSALHAPGTPVREGLRSHLDPRTPPLPPRERPHTSGHHGAGEARATAPSTVSPYGPEARAELSSRLTTLRNTLAPATNDPRYLQACGGEKLNRFRDIQCCRQTAVRADLNANYIQVGNTRTIACQYPLQSQLESHFRMLAENRTPVLAVLASSSEIANQRFGMPDYFRQSGTYGSITVESKMTQQVGLGDGIMADMYTLTIREAGQKTISVPVVHVGNWPDQTAVSSEVTKALASLVDQTAETKRNMYESKGSSAVGDDSKLRPVIHCRAGVGRTAQLIGAMCMNDSRNSQLSVEDMVSQMRVQRNGIMVQKDEQLDVLIKLAEGQGRPLLNS |
| Organism_Source | Yersinia pseudotuberculosis serotype I (strain IP32953) |
| Functional_Classification | protein tyrosine phosphatases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | yopH |
| UniProt_ID | P08538 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Cyclo-DEYDDPfK |
|---|---|
| Peptide_Sequence | DEYDDPfK |
| Peptide_Length | 8 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
| Chemical_Modification | f7=D-phenylalanine |
| Cyclization_Method | Side chain-side chain cyclization; D1<-->K8; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1028.04 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 3.87500 |
| Charge_at_pH_7 | -3.00005 |
| Isoelectric_Point | 3.69901 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 14 |
| Topological_Polar_Surface_Area | 453.68000 |
| X_logP_energy | -3.09300 |
Interaction Information
| Affinity | IC50=100 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design and NMR Studies of Cyclic Peptides Targeting the N-Terminal Domain of the Protein Tyrosine Phosphatase YopH |
| Release_Year | 2011 |
| PMID | 21118379 |
| DOI | 10.1111/j.1747-0285.2010.01058.x |