Fluorescence-based thermal shift data on multidrug regulator AcrR from Salmonella enterica subsp. entrica serovar Typhimurium str. LT2
Babu A. Manjasetty,
Andrei S. Halavaty,
Chi-Hao Luan,
Jerzy Osipiuk,
Rory Mulligan,
Keehwan Kwon,
Wayne F. Anderson,
Andrzej Joachimiak
Affiliations
Babu A. Manjasetty
European Molecular Biology Laboratory (EMBL), Grenoble Outstation, 71 Avenue des Martyrs, F-38042 Grenoble, France; Unit of Virus–Host Cell interactions (UVHCI), University of Grenoble Alpes, F-38042 Grenoble, France
Andrei S. Halavaty
Biochemistry and Molecular Genetics, Feinberg School of Medicine, Northwestern University, 303 East Chicago Avenue, Chicago, IL 60611, United States; Center for Structural Genomics of Infectious Diseases (CSGID), 303 East Chicago Avenue, Chicago, IL 60626, United States; Corresponding authors at: Center for Structural Genomics of Infectious Diseases (CSGID), 303 East Chicago Avenue, Chicago, IL 60626, United States.
Chi-Hao Luan
Center for Structural Genomics of Infectious Diseases (CSGID), 303 East Chicago Avenue, Chicago, IL 60626, United States; High Throughput Analysis Laboratory, Northwestern University, 2205 Tech Drive, Evanston, IL 60208, United States
Jerzy Osipiuk
Center for Structural Genomics of Infectious Diseases (CSGID), 303 East Chicago Avenue, Chicago, IL 60626, United States; Computational Institute, The University of Chicago, 5735 South Ellis Avenue, Chicago, IL 60637, United States; Structural Biology Center, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439, United States
Rory Mulligan
Center for Structural Genomics of Infectious Diseases (CSGID), 303 East Chicago Avenue, Chicago, IL 60626, United States; Computational Institute, The University of Chicago, 5735 South Ellis Avenue, Chicago, IL 60637, United States; Structural Biology Center, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439, United States
Keehwan Kwon
Center for Structural Genomics of Infectious Diseases (CSGID), 303 East Chicago Avenue, Chicago, IL 60626, United States; Infectious Diseases, J. Craig Venter Institute, Rockville, MD, United States
Wayne F. Anderson
Biochemistry and Molecular Genetics, Feinberg School of Medicine, Northwestern University, 303 East Chicago Avenue, Chicago, IL 60611, United States; Center for Structural Genomics of Infectious Diseases (CSGID), 303 East Chicago Avenue, Chicago, IL 60626, United States
Andrzej Joachimiak
Center for Structural Genomics of Infectious Diseases (CSGID), 303 East Chicago Avenue, Chicago, IL 60626, United States; Computational Institute, The University of Chicago, 5735 South Ellis Avenue, Chicago, IL 60637, United States; Structural Biology Center, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439, United States; Corresponding authors at: Center for Structural Genomics of Infectious Diseases (CSGID), 303 East Chicago Avenue, Chicago, IL 60626, United States.
The fluorescence-based thermal shift (FTS) data presented here include Table S1 and Fig. S1, and are supplemental to our original research article describing detailed structural, FTS, and fluorescence polarization analyses of the Salmonella enterica subsp. entrica serovar Typhimurium str. LT2 multidrug transcriptional regulator AcrR (StAcrR) (doi:10.1016/j.jsb.2016.01.008) (Manjasetty et al., 2015 [1]). Table S1 contains chemical formulas, a Chemical Abstracts Service (CAS) Registry Number (CAS no.), FTS rank (a ligand with the highest rank) has the largest difference in the melting temperature (ΔTm), and uses as drug molecules against various pathological conditions of sixteen small-molecule ligands that increase thermal stability of StAcrR. Thermal stability of human enolase 1, a negative control protein, was not affected in the presence of various concentrations of the top six StAcrR binders (Fig. S1). Keywords: Fluorescence-based thermal shift analysis, Infectious diseases, Transcriptional regulator, TetR, AcrR, Salmonella enterica, High-throughout screening
