3Q0U

EthR from Mycobacterium tuberculosis in complex with compound BDM31379

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	HTH-type transcriptional regulator EthR	polymer	236	25953.1	1	UniProt (P96222) Pfam (PF00440) Pfam (PF21313) UniProt (by SIFTS) (P9WMC1) In PDB	Mycobacterium tuberculosis
2	A	2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone	non-polymer		353.4	1	Chemie (LL3)
3		water	water		18.0	228	Chemie (HOH)

Sequence modifications

A: 1 - 216 (UniProt: P96222)

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	1
	Total formula weight	25953.1
Non-Polymers*	Number of molecules	1
	Total formula weight	353.4
All*	Total formula weight	26306.5

*Water molecules are not included.