6G83

Crystal structure of M. tuberculosis DprE1 in complex with sPBTZ169 (sulfonylPBTZ)

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 (strain ATCC 25618 / H37Rv)	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	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	A, B	[2-(4-cyclohexylsulfonylpiperazin-1-yl)-4-oxidanylidene-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]-oxidanylidene-azanium	non-polymer		491.5	2	Chemie (EQ8)
4		water	water		18.0	108	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	2554.2
All*	Total formula weight	107336.8

*Water molecules are not included.