9VG2

Crystal structure of C. difficile HsmR with DNA bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	MarR-family transcriptional regulator	polymer	167	19292.2	2	UniProt (A0A9R0BIW1)	Clostridioides difficile
2	C (C)	DNA (5'-D(*AP*TP*TP*AP*GP*TP*TP*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*CP*CP*AP*TP*T)-3')	polymer	22	6740.4	1		Clostridioides difficile
3	D (D)	DNA (5'-D(*AP*TP*TP*AP*GP*TP*TP*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*CP*CP*AP*TP*T)-3')	polymer	22	6758.4	1		Clostridioides difficile
4	E, F (B, D)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4) PubChem (1061)
5	G, H, I, J (A, B, C, D)	water	water		18.0	192	Chemie (HOH)

Sequence modifications

A, B: 1 - 147 (UniProt: A0A9R0BIW1)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 39	His 39	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	52083.2
Non-Polymers*	Number of molecules	2
	Total formula weight	189.9
All*	Total formula weight	52273.2

*Water molecules are not included.