PPIRE18983

Target Protein Information
Protein_Name Peroxide operon regulator
Protein_Sequence MAAHELKEALETLKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTSDHYHAICENCGKIVDFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQECSKKENH
Organism_Source Bacillus subtilis (strain 168)
Functional_Classification Metal dependent transcriptional repressors Fur family
Cellular_Localization Cytoplasm
Gene_Names perR
UniProt_ID P71086
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name LTC
Peptide_Sequence PCENCGKpPGRVCQECSKKENH
Peptide_Length 22
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-main chain cyclization; E3<-->P1; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2443.77
Aliphatic_Index 13.18182
Aromaticity 0.00000
Average_Rotatable_Bonds 3.68182
Charge_at_pH_7 0.84543
Isoelectric_Point 7.93397
Number_of_Hydrogen_Bond_Acceptors 39
Number_of_Hydrogen_Bond_Donors 39
Topological_Polar_Surface_Area 1072.89000
X_logP_energy -15.12673
Interaction Information
Affinity KD=6.31 pM
Affinity_Assay Competition binding assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Cooperative Metal Binding and Helical Folding in Model Peptides of Treble-Clef Zinc Fingers
Release_Year 2009
PMID 19388025
DOI 10.1002/chem.200900147