2M30

Solution NMR refinement of a metal ion bound protein using quantum mechanical/molecular mechanical and molecular dynamics methods

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Repressor protein	polymer	106	12007.7	2	UniProt (Q7A4C3) Pfam (PF01022) UniProt (by SIFTS) (O85142)	Staphylococcus aureus
2	C, D (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	24015.4
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	24146.2

*Water molecules are not included.