PPIRE08582
Target Protein Information
| Protein_Name | Signal peptidase IB |
|---|---|
| Protein_Sequence | MKKELLEWIISIAVAFVILFIVGKFIVTPYTIKGESMDPTLKDGERVAVNIIGYKTGGLEKGNVVVFHANKNDDYVKRVIGVPGDKVEYKNDTLYVNGKKQDEPYLNYNLKHKQGDYITGTFQVKDLPNANPKSNVIPKGKYLVLGDNREVSKDSRAFGLIDEDQIVGKVSFRFWPFSEFKHNFNPENTKN |
| Organism_Source | Staphylococcus aureus |
| Functional_Classification | serine protease |
| Cellular_Localization | Plasma membrane |
| Gene_Names | spsB |
| UniProt_ID | P0A070 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Decanoyl-LTPTAKAPS-OH |
|---|---|
| Peptide_Sequence | LTPTAKAPS |
| Peptide_Length | 9 |
| Peptide_SMILES | CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Decanoyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 885.03 |
|---|---|
| Aliphatic_Index | 65.55556 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.66667 |
| Charge_at_pH_7 | 0.99769 |
| Isoelectric_Point | 9.70000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 14 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 365.25000 |
| X_logP_energy | -4.74210 |
Interaction Information
| Affinity | IC50=22.5 uM |
|---|---|
| Affinity_Assay | TR-FRET assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Substrate based peptide aldehyde inhibits bacterial type I signal peptidase. |
| Release_Year | 2009 |
| PMID | 19362478 |
| DOI | 10.1016/j.bmcl.2009.03.064 |