3BQZ

Crystal Structure of the Complex of Malachite Green Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A	HTH-type transcriptional regulator qacR	polymer	194	22982.0	2	UniProt (P0A0N3) Pfam (PF00440) Pfam (PF08360) In PDB	Staphylococcus aureus
2	B, A	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
3	A	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
4	A	MALACHITE GREEN	non-polymer		329.5	1	Chemie (MGR)
5		water	water		18.0	85	Chemie (HOH)

Sequence modifications

B, A: 1 - 188 (UniProt: P0A0N3)

PDB	External Database	Details
Ala 72	Cys 72	engineered mutation
Gln 90	Glu 90	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	2
	Total formula weight	45964.1
Non-Polymers*	Number of molecules	9
	Total formula weight	1044.0
All*	Total formula weight	47008.1

*Water molecules are not included.