Brand  (β version)

PDB ID: 5OEP

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Ligands
Code Name Style Show Link
FAD Flavin-adenine dinucleotide PoSSuM
9T2 Ethyl ~{N}-[2-(1,3-benzothiazol-2-ylcarbonylamino)-5-fluoranyl-thiophen-3-yl]carbonylcarbamate PoSSuM
IMD Imidazole PoSSuM
Non-standard Residues
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Structure summary

Code : 5OEP   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481
Release Data : 2018-05-16
Compound :
mol_id molecule chains synonym
1 Decaprenylphosphoryl-beta-D-ribose oxidase A,B Decaprenylphospho-beta-D-ribofuranose 2-dehydrogenase,Decaprenylphosphoryl-beta-D-ribofuranose 2'-epimerase subunit DprE1,Decaprenyl-phosphoribose 2'-epimerase subunit 1,Decaprenylphosphoryl-beta-D-ribofuranose 2'-oxidase,Decaprenylphosphoryl-beta-D-ribose 2-epimerase flavoprotein subunit,FAD-dependent decaprenylphosphoryl-beta-D-ribofuranose 2-oxidase
ec: 1.1.98.3
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)  (taxid:83332) Escherichia coli BL21(DE3)  (taxid:469008)
strain: ATCC 25618 / H37Rv
gene: dprE1, Rv3790
Authors : Futterer, K., Batt, S.M., Besra, G.S.
Keywords : FAD-containing oxidoreductase Decaprenylphosphoarabinose synthesis, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.35 Å )
Citation :

Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.

Liu, R.,Lyu, X.,Batt, S.M.  et al.
(2017)  Angew. Chem. Int. Ed. Engl.  56 : 13011 - 13015

PubMed: 28815830
DOI: 10.1002/anie.201707324

Reaction

Chain : A, B
UniProt : P9WJF1 (DPRE1_MYCTU)
Reaction: EC: Evidence:
Physiological Direction:
trans,octa-cis-decaprenylphospho-beta-D-ribofuranose + FAD + H(+) = trans,octa-cis-decaprenylphospho-beta-D-erythro- pentofuranosid-2-ulose + FADH2 1.1.98.3 PubMed:22733761
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