PPIRE11263

Target Protein Information
Protein_Name Serine endoprotease DegS
Protein_Sequence MFVKLLRSVAIGLIVGAILLVAMPSLRSLNPLSTPQFDSTDETPASYNLAVRRAAPAVVNVYNRGLNTNSHNQLEIRTLGSGVIMDQRGYIITNKHVINDADQIIVALQDGRVFEALLVGSDSLTDLAVLKINATGGLPTIPINARRVPHIGDVVLAIGNPYNLGQTITQGIISATGRIGLNPTGRQNFLQTDASINHGNSGGALVNSLGELMGINTLSFDKSNDGETPEGIGFAIPFQLATKIMDKLIRDGRVIRGYIGIGGREIAPLHAQGGGIDQLQGIVVNEVSPDGPAANAGIQVNDLIISVDNKPAISALETMDQVAEIRPGSVIPVVVMRDDKQLTLQVTIQEYPATN
Organism_Source Escherichia coli O157:H7
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names degS
UniProt_ID P0AEE4
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name fluorescein-b-alanine-KKDNRDGNYYF
Peptide_Sequence XXKKDNRDGNYYF
Peptide_Length 13
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Chemical_Modification X1=fluorescein; X2=beta-alanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Fluorescein; Beta-Alanine
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1533.62
Aliphatic_Index 0.00000
Aromaticity 0.23077
Average_Rotatable_Bonds 3.92308
Charge_at_pH_7 0.99658
Isoelectric_Point 9.12116
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 727.70000
X_logP_energy -8.52913
Interaction Information
Affinity KD=0.31 mM
Affinity_Assay fluorescence anisotropy
PDB_ID None
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title OMP peptides activate the DegS stress-sensor protease by a relief of inhibition mechanism.
Release_Year 2009
PMID 19836340
DOI 10.1016/j.str.2009.07.017