PPIRE11159

Target Protein Information
Protein_Name Trypsin
Protein_Sequence FPTDDDDKIVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRLGEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRVATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKSSYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN
Organism_Source Sus scrofa
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names None
UniProt_ID P00761
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name grimoviridin
Peptide_Sequence IATRKAPSDDDEGFS
Peptide_Length 15
Peptide_SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method Multi-point cyclization; Thr3<->Asp9; ester bond; Ser8<->Asp11; ester bond; Lys5<->Glu12; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1608.68
Aliphatic_Index 39.33333
Aromaticity 0.06667
Average_Rotatable_Bonds 3.46667
Charge_at_pH_7 -1.99920
Isoelectric_Point 4.06269
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 759.74000
X_logP_energy -10.30173
Interaction Information
Affinity IC50=238 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Heterologous expression of a cryptic gene cluster from Grimontia marina affords a novel tricyclic peptide grimoviridin.
Release_Year 2020
PMID 32300852
DOI 10.1007/s00253-020-10605-z