8TC4

Sequence specific (TGTCA) orientation of ImPyPy molecules at a unique minor groove binding site within a self-assembled 3D DNA lattice (4x5)

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(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*TP*GP*TP*CP*AP*C)-3')	polymer	21	6457.2	1		synthetic construct
2	B (B)	DNA (5'-D(P*CP*GP*TP*CP*A)-3')	polymer	5	1480.0	1		synthetic construct
3	C (C)	DNA (5'-D(*TP*CP*GP*TP*GP*AP*CP*AP*T)-3')	polymer	9	2730.8	1		synthetic construct
4	D (D)	DNA (5'-D(P*GP*GP*TP*CP*TP*GP*C)-3')	polymer	7	2129.4	1		synthetic construct
5	E, G (A, C)	N-[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-imidazole-2-carboxamide	non-polymer		525.6	2	Chemie (ZQQ)
6	F, H (B, D)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	I (C)	water	water		18.0	1	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	12797.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1099.8
All*	Total formula weight	13897.2

*Water molecules are not included.