PPIRE13669

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 SPC1
Peptide_Sequence EPCCDSCRCTKSIPPPQCHCANI
Peptide_Length 23
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=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)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)CC)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C9<->C17; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2505.92
Aliphatic_Index 38.26087
Aromaticity 0.00000
Average_Rotatable_Bonds 3.21739
Charge_at_pH_7 -0.28103
Isoelectric_Point 7.03784
Number_of_Hydrogen_Bond_Acceptors 40
Number_of_Hydrogen_Bond_Donors 38
Topological_Polar_Surface_Area 1006.43000
X_logP_energy -14.01653
Interaction Information
Affinity KD=120 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Studies on an artificial trypsin inhibitor peptide derived from the mung bean trypsin inhibitor: chemical synthesis, refolding, and crystallographic analysis of its complex with trypsin.
Release_Year 1994
PMID 7798176
DOI 10.1093/oxfordjournals.jbchem.a124491