PPIRE12116

Target Protein Information
Protein_Name None
Protein_Sequence MMRKKSFWLGMLTALMLVFTMAFSDSASAAQPAKNVEKDYIVGFKSGVKTASVKKDIIKESGGKVDKQFRIINAAKAKLDKEALKEVKNDPDVAYVEEDHVAHALAQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASFVAGEAYNTDGNGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGSGSYSGIVSGIEWATTNGMDVINMSLGGASGSTAMKQAVDNAYARGVVVVAAAGNSGSSGNTNTIGYPAKYDSVIAVGAVDSNSNRASFSSVGAELEVMAPGAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHPNLSASQVRNRLSSTATYLGSSFYYGKGLINVEAAAQ
Organism_Source Bacillus licheniformis
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names aprE
UniProt_ID Q1EM64
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name marinostatin E
Peptide_Sequence ATMRYPSDSDEDGFN
Peptide_Length 15
Peptide_SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O
Chemical_Modification None
Cyclization_Method side chain-side chain cyclization; T3<->D9; other bonds; S8<->D11; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1704.74
Aliphatic_Index 6.66667
Aromaticity 0.13333
Average_Rotatable_Bonds 3.53333
Charge_at_pH_7 -2.99975
Isoelectric_Point 3.69901
Number_of_Hydrogen_Bond_Acceptors 27
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 797.04000
X_logP_energy -10.91993
Interaction Information
Affinity IC50=39.6 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Heterologous production of new protease inhibitory peptide marinostatin E.
Release_Year 2021
PMID 33577650
DOI 10.1093/bbb/zbaa011