PPIRE16415

Target Protein Information
Protein_Name Phosphoenolpyruvate-protein phosphotransferase
Protein_Sequence METTLRGVGVSHGVAIGEVRHMGTAVLEPPAKQIPAEDAEREQGRARKAVEAVAADLMARGNLAGGEAQAVLEAQAMMAQDPELLADVERRITVGSTAERAVYDAFAAYRALLAGAGEYLAGRVADLDDVRNRIVARLLGVPMPGVPDSDEPYVLIARDLAPADTALLDPTLVLGFVTEEGGPTSHSAILARALGVPAVVALPGAGEIPEGTVVAVDGSTGEIFVNPAEEKKARLAAEAAERKAALAAATGPGATSDGHKVPLLANIGGPADVPAAVEAGAEGVGLFRTEFLFLDDSANAPSEEKQITAYRQVLEAFPEGRVVVRVLDAGADKPLDFLTPGDEPNPALGVRGLRTLLDHPDVLRTQLTALAKAAEGLPVYLEVMAPMVADRADAKAFADACREAGLRAKFGAMVEIPSAALRARSVLQEVEFLSLGTNDLAQYTFAADRQVGAVSRLQDPWQPALLDLVALSAEAAKAEGKSCGVCGEAAADPLLACVLTGLGVTSLSMGAASLPYVRATLAKFTLAQCERAAAAARAADSAEEARTAAQAVLSGE
Organism_Source Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)
Functional_Classification PEP dependent sugar phosphotransferase enzyme I
Cellular_Localization Cytoplasm
Gene_Names ptsI
UniProt_ID Q9KZP1
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Phage1
Peptide_Sequence GLRFGKTRVHYLVLG
Peptide_Length 15
Peptide_SMILES CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)C(C)C)C(C)C)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1716.06
Aliphatic_Index 116.66667
Aromaticity 0.13333
Average_Rotatable_Bonds 3.73333
Charge_at_pH_7 3.08774
Isoelectric_Point 11.53053
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 689.68000
X_logP_energy -4.27686
Interaction Information
Affinity KD=5.1 uM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Peptides as Inhibitors of the First Phosphorylation Step of the Streptomyces coelicolor Phosphoenolpyruvate: Sugar Phosphotransferase System
Release_Year 2012
PMID 22909257
DOI 10.1021/bi3010494