4NCR

Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169

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 (P72056) Pfam (PF01565) Pfam (PF04030) UniProt (by SIFTS) (P9WJF1) In PDB	Mycobacterium tuberculosis	DprE1
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	A, B	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	B	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
6		water	water		18.0	253	Chemie (HOH)

Sequence modifications

A, B: 1 - 461 (UniProt: P72056)

PDB	External Database	Details
Met -19	-	expression tag
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	9
	Total formula weight	2893.6
All*	Total formula weight	107676.2

*Water molecules are not included.