2K4L

Solution structure of a 2:1C2-(2-naphthyl)pyrrolo[2,1-c][1,4]benzodiazepine (PBD) DNA adduct: molecular basis for unexpectedly high DNA helix stabilization.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	5'-D(*DAP*DAP*DTP*DCP*DTP*DTP*DTP*DAP*DAP*DAP*DGP*DAP*DTP*DT)-3'	polymer	14	4277.8	2
2	C, D (A, B)	(11aS)-7,8-dimethoxy-2-naphthalen-2-yl-1,10,11,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one	non-polymer		386.4	2	Chemie (PZD)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	8555.7
Non-Polymers*	Number of molecules	2
	Total formula weight	772.9
All*	Total formula weight	9328.5

*Water molecules are not included.