4ZN8

Using molecular dynamics simulations to predict domain swapping of computationally designed protein variants

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	computationally modified engrailed homeodomain	polymer	51	6687.4	4		Drosophila melanogaster
2	E, F, G, H (A, C, D)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	26749.6
Non-Polymers*	Number of molecules	4
	Total formula weight	156.4
All*	Total formula weight	26906.0

*Water molecules are not included.