5IF6

Structure of a computationally designed 17-OHP binder

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, E...	OHP9_1c	polymer	134	14512.2	6		synthetic construct
2	A, B, C, D, E...	(9beta)-17-hydroxypregn-4-ene-3,20-dione	non-polymer		330.5	6	Chemie (3QZ)
3	A, B, D	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
4		water	water		18.0	48	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	87072.9
Non-Polymers*	Number of molecules	9
	Total formula weight	2051.7
All*	Total formula weight	89124.7

*Water molecules are not included.