3BR6

Crystal Structure of the Complex of Rhodamine 6G Bound to QacR(E120Q), 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	A, B, C, D (B, D, A, E)	HTH-type transcriptional regulator qacR	polymer	194	22939.9	4	UniProt (P0A0N3) Pfam (PF00440) Pfam (PF08360)	Staphylococcus aureus
2	E, F, G, H, I... (D, A, E)	SULFATE ION	non-polymer		96.1	19	Chemie (SO4)
3	R (A)	RHODAMINE 6G	non-polymer		443.6	1	Chemie (RHQ)
4	AA, Y, Z (A, B, D)	water	water		18.0	3	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ser 67	Lys 67	engineered mutation
Ala 72	Cys 72	engineered mutation
Gln 120	Glu 120	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	91759.7
Non-Polymers*	Number of molecules	20
	Total formula weight	2268.8
All*	Total formula weight	94028.5

*Water molecules are not included.