36NQ

Isoreticular co-crystal 1 with symmetrical expanded duplex (31mer) containing insert sequence CCCGGCCGGA with G-G mismatch and pendant fluorescein

This is a non-PDB format compatible entry.

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	9459.1	1		Escherichia coli
2	B (B)	DNA (31-MER)	polymer	31	9650.2	1		Escherichia coli
3	C (C)	Replication initiation protein	polymer	263	30749.1	1	UniProt (P03856)	Escherichia coli	Protein E,Protein rep,Protein F4
4	D (B)	(2P)-4-[(6-acetamidohexyl)carbamoyl]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid	non-polymer		516.5	1	Chemie (A1DQB)
5	E (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
Ile 142	Leu 142	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	49858.3
Non-Polymers*	Number of molecules	2
	Total formula weight	540.8
All*	Total formula weight	50399.2

*Water molecules are not included.