1DA4

Solution structure of a DNA duplex containing the CIS-PT(NH3)2[D(-GTG-)-N7-(G)-N7(G)N7(G)]Adduct as determined with high field NMR and molecular mechanics/dynamics

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*CP*TP*CP*TP*AP*GP*TP*GP*CP*TP*CP*AP*C)-3')	polymer	13	3902.5	1
2	B (B)	DNA (5'-D(P*GP*TP*GP*AP*GP*CP*AP*CP*TP*AP*GP*AP*G)-3')	polymer	13	4040.6	1
3	C (A)	Cisplatin	non-polymer		300.0	1	Chemie (CPT)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	7943.2
Non-Polymers*	Number of molecules	1
	Total formula weight	300.0
All*	Total formula weight	8243.2

*Water molecules are not included.