PPIRE19478
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-DE(pY)LDPfK |
|---|---|
| Peptide_Sequence | DEXLDfK |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O |
| Chemical_Modification | X3=phosphotyrosine; 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 | 822.87 |
|---|---|
| Aliphatic_Index | 55.71429 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | -1.99964 |
| Isoelectric_Point | 3.87601 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 375.84000 |
| X_logP_energy | -2.82950 |
Interaction Information
| Affinity | KD=23 uM |
|---|---|
| Affinity_Assay | NMR chemical shift perturbation |
| 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 |