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  4. Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium tuberculosis
 
research article

Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium tuberculosis

Neres, Joao  
•
Pojer, Florence  
•
Molteni, Elisabetta
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2012
Science Translational Medicine

The benzothiazinone BTZ043 is a tuberculosis drug candidate with nanomolar whole-cell activity. BTZ043 targets the DprE1 catalytic component of the essential enzyme decaprenylphosphoryl-beta-D-ribofuranose-2'-epimerase, thus blocking biosynthesis of arabinans, vital components of mycobacterial cell walls. Crystal structures of DprE1, in its native form and in a complex with BTZ043, reveal formation of a semimercaptal adduct between the drug and an active-site cysteine, as well as contacts to a neighboring catalytic lysine residue. Kinetic studies confirm that BTZ043 is a mechanism-based, covalent inhibitor. This explains the exquisite potency of BTZ043, which, when fluorescently labeled, localizes DprE1 at the poles of growing bacteria. Menaquinone can reoxidize the flavin adenine dinucleotide cofactor in DprE1 and may be the natural electron acceptor for this reaction in the mycobacterium. Our structural and kinetic analysis provides both insight into a critical epimerization reaction and a platform for structure-based design of improved inhibitors.

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Type
research article
DOI
10.1126/scitranslmed.3004395
Web of Science ID

WOS:000308677100005

Author(s)
Neres, Joao  
•
Pojer, Florence  
•
Molteni, Elisabetta
•
Chiarelli, Laurent R.
•
Dhar, Neeraj  
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Boy-Roettger, Stefanie
•
Buroni, Silvia
•
Fullam, Elizabeth
•
Degiacomi, Giulia
•
Lucarelli, Anna Paola
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Date Issued

2012

Publisher

American Association for the Advancement of Science

Published in
Science Translational Medicine
Volume

4

Issue

150

Article Number

150ra121

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
UPCOL  
LCOM  
UPKIN  
Available on Infoscience
February 27, 2013
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/89505
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