2HZ8

QM/MM structure refined from NMR-structure of a single chain diiron protein

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	De novo designed diiron protein	polymer	115	13516.4	1		Escherichia coli
2	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3		water	water		18.0	2	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	13516.4
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	13647.2

*Water molecules are not included.