3G1O

EthR from Mycobacterium tuberculosis in complex with compound BDM14500

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR	polymer	255	27979.3	1	UniProt (P96222) Pfam (PF00440) Pfam (PF21313) UniProt (by SIFTS) (P9WMC1)	Mycobacterium tuberculosis	Transcriptional regulator, TetR family
2	B (A)	tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate	non-polymer		335.4	1	Chemie (RF1)
3	C (A)	water	water		18.0	165	Chemie (HOH)

Sequence modifications

A: 1 - 216 (UniProt: P96222)

PDB	External Database	Details
Met -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -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
Met 217	-	expression tag
Gly 218	-	expression tag
Ser 219	-	expression tag
Ser 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag
His 223	-	expression tag
His 224	-	expression tag
His 225	-	expression tag
Ser 226	-	expression tag
Ser 227	-	expression tag
Gly 228	-	expression tag
Leu 229	-	expression tag
Val 230	-	expression tag
Pro 231	-	expression tag
Arg 232	-	expression tag
Gly 233	-	expression tag
Ser 234	-	expression tag
His 235	-	expression tag
Met 236	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	27979.3
Non-Polymers*	Number of molecules	1
	Total formula weight	335.4
All*	Total formula weight	28314.8

*Water molecules are not included.