1JUM

Crystal structure of the multidrug binding transcriptional repressor QacR bound to the natural drug berberine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, D, A, E	HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION	polymer	194	22983.0	4	UniProt (P0A0N4) Pfam (PF00440) Pfam (PF08360) In PDB	Staphylococcus aureus	QACR REPRESSOR, ORF 188
2	E, B, D, A	SULFATE ION	non-polymer		96.1	22	Chemie (SO4)
3	A	BERBERINE	non-polymer		336.4	1	Chemie (BER)
4		water	water		18.0	7	Chemie (HOH)

Sequence modifications

B, D, A, E: 1 - 188 (UniProt: P0A0N4)

PDB	External Database	Details
Ala 72	Cys 72	engineered mutation
Ser 141	Cys 141	engineered mutation
His 189	-	expression tag
His 190	-	expression tag
His 191	-	expression tag
His 192	-	expression tag
His 193	-	expression tag
His 194	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	91932.1
Non-Polymers*	Number of molecules	23
	Total formula weight	2449.7
All*	Total formula weight	94381.8

*Water molecules are not included.