3NQ2

Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R2 3/5G

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	deoxyribose phosphate aldolase	polymer	264	28057.0	2		Escherichia coli
2	A, B	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
3		water	water		18.0	157	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	56113.9
Non-Polymers*	Number of molecules	2
	Total formula weight	138.2
All*	Total formula weight	56252.1

*Water molecules are not included.