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Structure paper

TitleStructural Basis for Benzothiazinone-Mediated Killing of Mycobacterium Tuberculosis.
Journal, issue, pagesSci. Transl. Med., Vol. 4, Page 121-, Year 2012
Publish dateMay 21, 2012 (structure data deposition date)
AuthorsNeres, J. / Pojer, F. / Molteni, E. / Chiarelli, L.R. / Dhar, N. / Boy-Rottger, S. / Buroni, S. / Fullam, E. / Degiacomi, G. / Lucarelli, A.P. ...Neres, J. / Pojer, F. / Molteni, E. / Chiarelli, L.R. / Dhar, N. / Boy-Rottger, S. / Buroni, S. / Fullam, E. / Degiacomi, G. / Lucarelli, A.P. / Read, R.J. / Zanoni, G. / Edmondson, D.E. / De Rossi, E. / Pasca, M.R. / Mckinney, J.D. / Dyson, P.J. / Riccardi, G. / Mattevi, A. / Cole, S.T. / Binda, C.
External linksSci. Transl. Med. / PubMed:22956199
MethodsX-ray diffraction
Resolution2.1 - 2.619 Å
Structure data

PDB-4aut:
Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4f4q:
Crystal structure of M. smegmatis DprE1 in complex with FAD and covalently bound BTZ043
Method: X-RAY DIFFRACTION / Resolution: 2.619 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-HOH:
WATER

ChemComp-0SK:
8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

ChemComp-GOL:
GLYCEROL

Source
  • mycobacterium smegmatis (bacteria)
KeywordsOXIDOREDUCTASE / TUBERCULOSIS / BENZOTHIAZINONE / MYCOBACTERIA / FAD domain / oxidase / BTZ043 covalently bound to Cys394

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