PPIRE01330

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 HV-BBI(3-18)
Peptide_Sequence IGXWTKXIXXRPXFVK
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C5<->C15; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1629.93
Aliphatic_Index 66.87500
Aromaticity 0.12500
Average_Rotatable_Bonds 3.25000
Charge_at_pH_7 2.99739
Isoelectric_Point 11.82306
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 23
Topological_Polar_Surface_Area 640.99000
X_logP_energy -5.41813
Interaction Information
Affinity Ki=3 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 4U2W
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin.
Release_Year 2015
PMID 25546528
DOI 10.1002/prot.24750