PPIRE16419

Target Protein Information
Protein_Name Phosphocarrier protein HPr
Protein_Sequence MAERRVNVGWAEGLHARPASIFVRAATATGVPVTIAKADGSPVNAASMLAVLGLGAQGGEEIVLASDAEGAEAALERLAKLVAEGLEELPETV
Organism_Source Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)
Functional_Classification histidine phosphocarrier
Cellular_Localization Cytoplasm
Gene_Names ptsH
UniProt_ID O50515
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name EINbsiteEINosite
Peptide_Sequence FVTEEGGPTSHSAILARAYRALLAGAGEYLAGRVADLDD
Peptide_Length 39
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 4034.45
Aliphatic_Index 95.38462
Aromaticity 0.07692
Average_Rotatable_Bonds 3.30769
Charge_at_pH_7 -2.90615
Isoelectric_Point 4.35290
Number_of_Hydrogen_Bond_Acceptors 56
Number_of_Hydrogen_Bond_Donors 61
Topological_Polar_Surface_Area 1719.89000
X_logP_energy -18.10869
Interaction Information
Affinity KD=16 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