5E20

Crystal structure of the organohalide sensing RdhR-CbdbA1625 transcriptional regulator in the 2,3-dichlorophenol bound form

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Transcriptional regulator, MarR family	polymer	180	21016.5	1	UniProt (M1R817) UniProt (by SIFTS) (A0A1I9GEQ5)	Dehalococcoides sp. CBDB1
2	B (A)	2,3-dichlorophenol	non-polymer		163.0	1	Chemie (5JF)
3	C (A)	water	water		18.0	88	Chemie (HOH)

Sequence modifications

A: 2 - 162 (UniProt: M1R817)

PDB	External Database	Details
Met -18	-	initiating methionine
Ala -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 1	-	expression tag
Ile 105	Val 105	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21016.5
Non-Polymers*	Number of molecules	1
	Total formula weight	163.0
All*	Total formula weight	21179.5

*Water molecules are not included.