5F08

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 14 at 1.92A 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 CDC1551
2	A	~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate	non-polymer		429.6	1	Chemie (5TG)
3		water	water		18.0	18	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	1
	Total formula weight	429.6
All*	Total formula weight	25688.8

*Water molecules are not included.