6HF3

M tuberculosis DprE1 in complex with a covalently bound nitrobenzothiazinone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Decaprenylphosphoryl-beta-D-ribose oxidase	polymer	481	52391.3	2	UniProt (P9WJF1) Pfam (PF01565) Pfam (PF04030) In PDB	Mycobacterium tuberculosis	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
2	A, B	2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form	non-polymer		442.5	2	Chemie (26J)
3	A, B	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
4		water	water		18.0	61	Chemie (HOH)

Sequence modifications

A, B: 1 - 461 (UniProt: P9WJF1)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104782.7
Non-Polymers*	Number of molecules	4
	Total formula weight	2456.1
All*	Total formula weight	107238.8

*Water molecules are not included.