7Q34

Crystal structure of the multidrug binding transcriptional regulator LmrR in complex squaraine dye

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 (A, B, C, D)	Helix-turn-helix transcriptional regulator	polymer	132	14891.7	4	UniProt (A0A0A7SZD7) Pfam (PF03551)	Lactococcus lactis subsp. lactis (Streptococcus lactis)	PadR family transcriptional regulator,Predicted transcriptional regulators,Transcriptional regulator PadR family,Transcriptional regulator,Acidobacterial,PadR-family
2	E, F, H, I (A, B)	NICKEL (II) ION	non-polymer		58.7	4	Chemie (NI)
3	G, J (A, C)	2,4-bis[(E)-(1-ethyl-3,3-dimethyl-indol-2-ylidene)methyl]cyclobutane-1,3-dione	non-polymer		454.6	2	Chemie (8TF)

Sequence modifications

A, B, C, D: 2 - 111 (UniProt: A0A0A7SZD7)

PDB	External Database	Details
Met 0	-	initiating methionine
Gly 1	-	expression tag
Asp 55	Lys 55	conflict
Gln 59	Lys 59	conflict
Ala 67	Trp 67	conflict
Lys 101	Glu 101	conflict
Ser 112	-	expression tag
Glu 113	-	expression tag
Ala 114	-	expression tag
Ile 115	-	expression tag
Lys 116	-	expression tag
Ser 117	-	expression tag
Arg 118	-	expression tag
Gly 119	-	expression tag
Gly 120	-	expression tag
Ser 121	-	expression tag
Gly 122	-	expression tag
Gly 123	-	expression tag
Ala 124	-	expression tag
Ser 125	-	expression tag
His 126	-	expression tag
Pro 127	-	expression tag
Gln 128	-	expression tag
Phe 129	-	expression tag
Glu 130	-	expression tag
Lys 131	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	59566.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1144.0
All*	Total formula weight	60710.9

*Water molecules are not included.