6HS2

EthR2 in complex with compound 31 (BDM76150)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Probable transcriptional regulatory protein	polymer	221	24122.6	2	UniProt (O53623) Pfam (PF00440) Pfam (PF21351) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
2	B	(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one	non-polymer		297.3	1	Chemie (GNZ)
3		water	water		18.0	41	Chemie (HOH)

Sequence modifications

A, B: 1 - 201 (UniProt: O53623)

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	48245.1
Non-Polymers*	Number of molecules	1
	Total formula weight	297.3
All*	Total formula weight	48542.5

*Water molecules are not included.