4P8H

Crystal structure of M. tuberculosis DprE1 in complex with the nitro-benzothiazole 6a

Summary for 4P8H

• Entry DOI: 10.2210/pdb4p8h/pdb
• Related: 4P8C 4P8K 4P8L 4P8M 4P8N 4P8P 4P8T 4P8Y
• Descriptor: Probable decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, {(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone, ... (4 entities in total)
• Functional Keywords: dpre1, inhibitor, complex, covalent, nitro-benzothiazole 6a, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Mycobacterium tuberculosis
• Total number of polymer chains: 2
• Total formula weight: 107182.57

Authors

Neres, J.,Cole, S.T. (deposition date: 2014-03-31, release date: 2015-10-28, Last modification date: 2024-10-30)

• Primary citation: Neres, J.,Cole, S.T.; Non-mutagenic Nitrobenzothiazoles as Novel Anti-tubercular Agents: A Balance between Potency and Electron Affinity; To Be Published,

Experimental method

X-RAY DIFFRACTION (3 Å)