PPIRE00886

Target Protein Information
Protein_Name Kallikrein-5
Protein_Sequence MATARPPWMWVLCALITALLLGVTEHVLANNDVSCDHPSNTVPSGSNQDLGAGAGEDARSDDSSSRIINGSDCDMHTQPWQAALLLRPNQLYCGAVLVHPQWLLTAAHCRKKVFRVRLGHYSLSPVYESGQQMFQGVKSIPHPGYSHPGHSNDLMLIKLNRRIRPTKDVRPINVSSHCPSAGTKCLVSGWGTTKSPQVHFPKVLQCLNISVLSQKRCEDAYPRQIDDTMFCAGDKAGRDSCQGDSGGPVVCNGSLQGLVSWGDYPCARPNRPGVYTNLCKFTKWIQETIQANS
Organism_Source Homo sapiens
Functional_Classification serine proteases
Cellular_Localization extracellular
Gene_Names KLK5
UniProt_ID Q9Y337
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Analogue 6
Peptide_Sequence GRCTRSIPPHCWPD
Peptide_Length 14
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method Multi-point cyclization; G1<->D14; amide bond; C3<->C11; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1624.86
Aliphatic_Index 27.85714
Aromaticity 0.07143
Average_Rotatable_Bonds 3.14286
Charge_at_pH_7 0.96538
Isoelectric_Point 8.24295
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 661.28000
X_logP_energy -7.17946
Interaction Information
Affinity KD=20 nM
Affinity_Assay Isothermal titration calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Bioactive peptides from Atlantic salmon (Salmo salar)with angiotensin converting enzyme and dipeptidyl peptidase IV inhibitory, and antioxidant activities.
Release_Year 2016
PMID 27719926
DOI 10.1016/j.foodchem.2016.09.053