PPIRE18993

Target Protein Information
Protein_Name Diphtheria toxin repressor
Protein_Sequence MKDLVDTTEMYLRTIYELEEEGVTPLRARIAERLEQSGPTVSQTVARMERDGLVVVASDRSLQMTPTGRTLATAVMRKHRLAERLLTDIIGLDINKVHDEACRWEHVMSDEVERRLVKVLKDVSRSPFGNPIPGLDELGVGNSDAAAPGTRVIDAATSMPRKVRIVQINEIFQVETDQFTQLLDADIRVGSEVEIVDRDGHITLSHNGKDVELLDDLAHTIRIEEL
Organism_Source Corynebacterium diphtheriae (strain PW8)
Functional_Classification Metal dependent transcriptional repressors Fur family
Cellular_Localization Cytoplasm
Gene_Names dtxR
UniProt_ID H2I233
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name DtxR R125-G139 peptide
Peptide_Sequence RSPFGNPIPGLDELG
Peptide_Length 15
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=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 1568.75
Aliphatic_Index 78.00000
Aromaticity 0.06667
Average_Rotatable_Bonds 3.06667
Charge_at_pH_7 -0.99980
Isoelectric_Point 4.18441
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 644.17000
X_logP_energy -6.55023
Interaction Information
Affinity KD=100 mM
Affinity_Assay NMR chemical shift perturbation
PDB_ID 1BYM
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Solution structure and peptide binding studies of the C-terminal Src homology 3-like domain of the diphtheria toxin repressor protein
Release_Year 1999
PMID 10339551
DOI 10.1073/pnas.96.11.6119