36OT

Isoreticular co-crystal 1 with asymmetrical expanded duplex (31mer) containing insert sequence GACGGCCCG with unpaired poly-C tail

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 (31-MER)	polymer	31	9507.1	1		Escherichia coli
2	B (B)	DNA (32-MER)	polymer	35	10716.9	1		Escherichia coli
3	C (C)	Replication initiation protein	polymer	263	30715.0	1	UniProt (P03856)	Escherichia coli	Protein E,Protein rep,Protein F4
4	D, E (A, C)	MAGNESIUM ION	non-polymer		24.3	2	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
Glu 172	Tyr 172	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	50939.0
Non-Polymers*	Number of molecules	2
	Total formula weight	48.6
All*	Total formula weight	50987.6

*Water molecules are not included.