5F04

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 3 at 1.84A resolution

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	228	25259.3	1	UniProt (P9WMC0) Pfam (PF00440) Pfam (PF21313) UniProt (by SIFTS) (P9WMC1) In PDB	Mycobacterium tuberculosis
2	A	3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one	non-polymer		329.5	1	Chemie (5TB)
3	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6		water	water		18.0	73	Chemie (HOH)

Sequence modifications

A: 2 - 216 (UniProt: P9WMC0)

PDB	External Database	Details
Met -3	-	initiating methionine
Asp -2	-	expression tag
Ile -1	-	expression tag
Glu 0	-	expression tag
Phe 1	-	expression tag
Gly 217	-	expression tag
Ser 218	-	expression tag
His 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag
His 223	-	expression tag
His 224	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	25259.3
Non-Polymers*	Number of molecules	5
	Total formula weight	675.8
All*	Total formula weight	25935.0

*Water molecules are not included.