2ROU

Stereospecific Conformations of N2-dG 1R-trans-anti-Benzo[c]phenanthrene DNA Adducts: 3'-Intercalation of the 1R Adduct and 5'-Minor Groove Orientation of the 1S Adduct in an Iterated (CG)3 Repeat

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(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3')	polymer	13	3992.6	1
2	B (B)	DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3')	polymer	13	3952.6	1
3	C (A)	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL	non-polymer		280.3	1	Chemie (BPJ)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	7945.2
Non-Polymers*	Number of molecules	1
	Total formula weight	280.3
All*	Total formula weight	8225.5

*Water molecules are not included.