4NCR

Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169

Summary for 4NCR

• Entry DOI: 10.2210/pdb4ncr/pdb
• Related: 4F4Q 4FDP
• Descriptor: decaprenylphosphoryl-beta-D-ribose oxidase, 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form, FLAVIN-ADENINE DINUCLEOTIDE, ... (6 entities in total)
• Functional Keywords: decaprenylphosphoryl-beta-d-ribose oxidase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Mycobacterium tuberculosis
• Total number of polymer chains: 2
• Total formula weight: 107676.22

Authors

Neres, J.,Pojer, F.,Cole, S.T. (deposition date: 2013-10-25, release date: 2014-02-19, Last modification date: 2023-09-20)

• Primary citation: Makarov, V.,Lechartier, B.,Zhang, M.,Neres, J.,van der Sar, A.M.,Raadsen, S.A.,Hartkoorn, R.C.,Ryabova, O.B.,Vocat, A.,Decosterd, L.A.,Widmer, N.,Buclin, T.,Bitter, W.,Andries, K.,Pojer, F.,Dyson, P.J.,Cole, S.T.; Towards a new combination therapy for tuberculosis with next generation benzothiazinones.; EMBO Mol Med, 6:372-383, 2014; PubMed: 24500695; DOI: 10.1002/emmm.201303575

Experimental method

X-RAY DIFFRACTION (1.881 Å)