PPIRE00001

Target Protein Information
Protein_Name Serine protease 1
Protein_Sequence MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
Organism_Source Bos taurus
Functional_Classification Protease
Cellular_Localization Extracellular
Gene_Names PRSS1
UniProt_ID P00760
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name 1-b(SS)
Peptide_Sequence PCKARIfPYGGCR
Peptide_Length 13
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Chemical_Modification None
Cyclization_Method C2<->C12; Side chain cyclization; Disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1467.77
Aliphatic_Index 37.69231
Aromaticity 0.15385
Average_Rotatable_Bonds 3.38462
Charge_at_pH_7 2.87288
Isoelectric_Point 9.53993
Hydrogen_Bond_Acceptors 20
Hydrogen_Bond_Donors 23
Topological_Polar_Surface_Area 559.79000
X_logP_energy -4.81826
Interaction Information
Affinity Ki(app)=2.2×10^-6 M
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A synthetic 13-residue peptide designed to resemble the primary binding site of the basic pancreatic trypsin inhibitor.
Release_Year 1982
PMID 6173072
DOI 10.1016/0167-4838(82)90325-9