6J0E

Structures of two ArsR As(III)-responsive repressors: implications for the mechanism of derepression


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.60 Å
  • R-Value Free: 0.264 
  • R-Value Work: 0.178 
  • R-Value Observed: 0.182 

wwPDB Validation   3D Report Full Report


This is version 1.2 of the entry. See complete history


Literature

Structures of two ArsR As(III)-responsive transcriptional repressors: Implications for the mechanism of derepression.

Prabaharan, C.Kandavelu, P.Packianathan, C.Rosen, B.P.Thiyagarajan, S.

(2019) J Struct Biol 207: 209-217

  • DOI: https://doi.org/10.1016/j.jsb.2019.05.009
  • Primary Citation of Related Structures:  
    6J05, 6J0E

  • PubMed Abstract: 

    ArsR As(III)-responsive transcriptional repressors, members of the ArsR/SmtB family of metalloregulatory proteins, have been characterized biochemically but, to date, no As(III)-bound structure has been solved. Here we report two crystal structures of ArsR repressors from Acidithiobacillus ferrooxidans (AfArsR) and Corynebacterium glutamicum (CgArsR) in the As(III)-bound form. AfArsR crystallized in P2 1 space group and diffracted up to 1.86 Å. CgArsR crystallized in P2 1 2 1 2 1 and diffracted up to 1.6 Å. AfArsR showed one As(III) bound in one subunit of the homodimer, while the CgArsR structure showed two As(III) bound with S 3 coordination, one in each monomer. Previous studies indicated that in AfArsR As(III) binds to Cys95, Cys96 and Cys102 from the same monomer, while, in CgArsR, to Cys15, Cys16 from one monomer and Cys55 from the other monomer. The dimer interfaces of these structures showed distinct differences from other members of the ArsR/SmtB family of proteins, which potentially renders multiple options for evolving metal(loid) binding sites in this family of proteins. Also, CgArsR presents a new α2-N binding site, not the previously predicted α3-N site. Despite differences in the location of the binding cysteines in the primary sequences of these proteins, the two metal binding sites are almost congruent on their structures, an example of convergent evolution. Analyses of the electrostatic surface of the proteins at the DNA binding domain indicate that there two different modes of derepression in the ArsR/SmtB family of metalloregulatory proteins.


  • Organizational Affiliation

    Institute of Bioinformatics and Applied Biotechnology, Bengaluru, Karnataka 560100, India. Electronic address: prabaharan@ibab.ac.in.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Arsenic responsive repressor ArsR
A, B
127Corynebacterium glutamicum ATCC 13032Mutation(s): 0 
UniProt
Find proteins for A0A5H1ZR36 (Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / BCRC 11384 / JCM 1318 / LMG 3730 / NCIMB 10025))
Explore A0A5H1ZR36 
Go to UniProtKB:  A0A5H1ZR36
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupA0A5H1ZR36
Sequence Annotations
Expand
  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.60 Å
  • R-Value Free: 0.264 
  • R-Value Work: 0.178 
  • R-Value Observed: 0.182 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 43.77α = 90
b = 46.387β = 90
c = 121.952γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
SCALEPACKdata scaling
SOLVEphasing

Structure Validation

View Full Validation Report



Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Other governmentIndiaEMR/2014/000299
National Institutes of Health/National Library of Medicine (NIH/NLM)United StatesR01 GM55425
National Institutes of Health/National Library of Medicine (NIH/NLM)United StatesS10_RR25528
National Institutes of Health/National Library of Medicine (NIH/NLM)United StatesS10_RR028976

Revision History  (Full details and data files)

  • Version 1.0: 2019-07-03
    Type: Initial release
  • Version 1.1: 2019-08-07
    Changes: Data collection, Database references
  • Version 1.2: 2022-03-23
    Changes: Author supporting evidence, Database references