PPIRE18412
Target Protein Information
| Protein_Name | Serine protease 1 |
|---|---|
| Protein_Sequence | MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN |
| Organism_Source | Bos taurus |
| Functional_Classification | serine proteases |
| Cellular_Localization | Extracellular |
| Gene_Names | PRSS1 |
| UniProt_ID | P00760 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Core peptide |
|---|---|
| Peptide_Sequence | SCTKSIPPQCY |
| Peptide_Length | 11 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Side chain-side chain cyclization; C2<-->C10; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1226.43 |
|---|---|
| Aliphatic_Index | 35.45455 |
| Aromaticity | 0.09091 |
| Average_Rotatable_Bonds | 3.18182 |
| Charge_at_pH_7 | 0.87289 |
| Isoelectric_Point | 8.22117 |
|---|---|
| Hydrogen_Bond_Acceptors | 20 |
| Hydrogen_Bond_Donors | 18 |
| Topological_Polar_Surface_Area | 486.77000 |
| X_logP_energy | -6.12740 |
Interaction Information
| Affinity | Ki=19 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | The 1H-NMR Solution Structure of the Antitryptic Core Peptide of Bowman-Birk Inhibitor Proteins: A Minimal -鍌欒兌閸嬨劑宕曢弻銉ノonical Loop- |
| Release_Year | 2002 |
| PMID | 12144352 |
| DOI | 10.1080/07391102.2002.10506822 |