PPIRE09329

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 OMP peptide
Peptide_Sequence DNRDGNVYYF
Peptide_Length 10
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)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 None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1262.30
Aliphatic_Index 29.00000
Aromaticity 0.30000
Average_Rotatable_Bonds 3.80000
Charge_at_pH_7 -1.00283
Isoelectric_Point 4.10925
Number_of_Hydrogen_Bond_Acceptors 18
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 588.36000
X_logP_energy -5.84833
Interaction Information
Affinity KD=4 mM
Affinity_Assay fluorescence anisotropy
PDB_ID 3GDS
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title A conserved activation cluster is required for allosteric communication in HtrA-family proteases.
Release_Year 2015
PMID 25703375
DOI 10.1016/j.str.2015.01.012