8TC6

Sequence specific (AATT and TGTCA) orientation of netropsin and ImPyPy molecules at two unique minor groove binding sites 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*(NT))-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 (A)	NETROPSIN	non-polymer		430.5	1	Chemie (NT)
6	F, H (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)
7	G, I (B, D)	CACODYLATE ION	non-polymer		137.0	2	Chemie (CAC)
8	J, K, L (A, C, D)	water	water		18.0	4	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	12797.4
Non-Polymers*	Number of molecules	5
	Total formula weight	1755.6
All*	Total formula weight	14553.1

*Water molecules are not included.