5ICJ

Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420

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	TetR family transcriptional regulator
2	A, B	4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one	non-polymer		340.3	2	Chemie (69Y)
3		water	water		18.0	3	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	2
	Total formula weight	680.7
All*	Total formula weight	48925.8

*Water molecules are not included.