PPIRE18758
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 | Sunflower trypsin inhibitor-1 (SFTI-1) |
|---|---|
| Peptide_Sequence | GRCTKSIPPICFPD |
| Peptide_Length | 14 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[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](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Main chain-main chain cyclization; G1<-->D14; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1533.82 |
|---|---|
| Aliphatic_Index | 55.71429 |
| Aromaticity | 0.07143 |
| Average_Rotatable_Bonds | 3.14286 |
| Charge_at_pH_7 | 0.87418 |
| Isoelectric_Point | 8.22969 |
|---|---|
| Hydrogen_Bond_Acceptors | 22 |
| Hydrogen_Bond_Donors | 21 |
| Topological_Polar_Surface_Area | 580.93000 |
| X_logP_energy | -5.71473 |
Interaction Information
| Affinity | Ki=0.1 nM |
|---|---|
| Affinity_Assay | binding assay |
| PDB_ID | 1SFI |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Natural structural diversity within a conserved cyclic peptide scaffold |
| Release_Year | 2016 |
| PMID | 27695949 |
| DOI | 10.1007/s00726-016-2333-x |