4PDZ

Crystal Structure of Calcium-loaded S100B bound to SBi4172

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)	Protein S100-B	polymer	92	10682.0	2	UniProt (P02638) Pfam (PF01023) Pfam (PF00036)	Bos taurus (Bovine)	S-100 protein beta chain,S-100 protein subunit beta,S100 calcium-binding protein B
2	C, D, F, G (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
3	E (B)	1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium	non-polymer		348.4	1	Chemie (CTI)
4	H, I (A, B)	water	water		18.0	76	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	21363.9
Non-Polymers*	Number of molecules	5
	Total formula weight	508.7
All*	Total formula weight	21872.6

*Water molecules are not included.