5OEP

Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481

Summary for 5OEP

Entry DOI	10.2210/pdb5oep/pdb
Related	4KW5 5OEL
Descriptor	Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ~{N}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate, ... (5 entities in total)
Functional Keywords	fad-containing oxidoreductase decaprenylphosphoarabinose synthesis, oxidoreductase
Biological source	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Cellular location	Periplasm : P9WJF1
Total number of polymer chains	2
Total formula weight	106506.70
Authors	Futterer, K.,Batt, S.M.,Besra, G.S. (deposition date: 2017-07-09, release date: 2018-05-16, Last modification date: 2024-01-17)
Primary citation	Liu, R.,Lyu, X.,Batt, S.M.,Hsu, M.H.,Harbut, M.B.,Vilcheze, C.,Cheng, B.,Ajayi, K.,Yang, B.,Yang, Y.,Guo, H.,Lin, C.,Gan, F.,Wang, C.,Franzblau, S.G.,Jacobs, W.R.,Besra, G.S.,Johnson, E.F.,Petrassi, M.,Chatterjee, A.K.,Futterer, K.,Wang, F. Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56:13011-13015, 2017 Cited by PubMed: 28815830 DOI: 10.1002/anie.201707324 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.35 Å)

Structure validation