36OW

Isoreticular co-crystal 1 with symmetrical expanded duplex (31mer) containing insert sequence CGCGGGATAA with phosphorothioate modifications

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA (5'-D(P*GP*AP*TP*AP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*T)-3')	polymer	31	9570.3	1		Escherichia coli
2	B (B)	DNA (5'-D(P*CP*GP*CP*GP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*A)-3')	polymer	31	9592.3	1		Escherichia coli
3	C (C)	Replication initiation protein	polymer	263	30749.1	1	UniProt (P03856)	Escherichia coli	Protein E,Protein rep,Protein F4, Replication Initiator protein RepE54
4	D (C)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG) PubChem (888)

Sequence modifications

C: 1 - 251 (UniProt: P03856)

PDB	External Database	Details
Met -11	-	initiating methionine
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Pro 118	Arg 118	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	49911.7
Non-Polymers*	Number of molecules	1
	Total formula weight	24.3
All*	Total formula weight	49936.0

*Water molecules are not included.