4F4Q

Crystal structure of M. smegmatis DprE1 in complex with FAD and covalently bound BTZ043

Summary for 4F4Q

• Entry DOI: 10.2210/pdb4f4q/pdb
• Descriptor: DprE1, 8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one, FLAVIN-ADENINE DINUCLEOTIDE, ... (5 entities in total)
• Functional Keywords: fad domain, oxidase, btz043 covalently bound to cys394, oxidoreductase
• Biological source: Mycobacterium smegmatis
• Cellular location: Periplasm : A0R607
• Total number of polymer chains: 1
• Total formula weight: 52485.93

Authors

Neres, J.,Pojer, F.,Molteni, E.,Chiarelli, L.,Riccardi, G.,Mattevi, A.,Cole, S.T.,Binda, C. (deposition date: 2012-05-11, release date: 2012-09-05, Last modification date: 2023-09-13)

• Primary citation: 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.; Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium tuberculosis.; Sci Transl Med, 4:150ra121-150ra121, 2012; PubMed: 22956199; DOI: 10.1126/scitranslmed.3004395

Experimental method

X-RAY DIFFRACTION (2.619 Å)