PPIPT00107

Target Protein Information
Protein_Name Serine protease 1
Protein_Sequence MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
Organism_Source Bos taurus
Functional_Classification Serine protease
Cellular_Localization Extracellular
Gene_Names PRSS1
UniProt_ID P00760
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SAP-1
Peptide_Sequence CPSQPTYPGDPPYRIRFGPVEDLIRFYDNLQQWLNCVTAAC
Peptide_Length 41
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)C(C)C
Chemical_Modification None
Cyclization_Method Side chain cyclization; C1<->C30; disulfide bond
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 4745.38
Aliphatic_Index 66.58537
Aromaticity 0.14634
Average_Rotatable_Bonds 3.39024
Charge_at_pH_7 -1.18739
Isoelectric_point 4.49915
Number_of_Hydrogen_Bond_Acceptors 63
Number_of_Hydrogen_Bond_Donors 64
Topological_Polar_Surface_Area 1862.10000
X_logP_energy -16.10379
Interaction Information
Affinity KD=0.61 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title MODULAR PEPTIDE-BASED REAGENT
Release_Year 2003
Patent_ID US20030158380A1