2LP2

Solution structure and dynamics of human S100A1 protein modified at cysteine 85 with homocysteine disulfide bond formation in calcium saturated form

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-A1	polymer	93	10425.6	2	UniProt (P23297) Pfam (PF01023) Pfam (PF00036)	Homo sapiens (human)	S-100 protein alpha chain, S-100 protein subunit alpha, S100 calcium-binding protein A1
2	C, F (A, B)	2-AMINO-4-MERCAPTO-BUTYRIC ACID	non-polymer		135.2	2	Chemie (HCS)
3	D, E, G, H (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	20851.2
Non-Polymers*	Number of molecules	6
	Total formula weight	430.7
All*	Total formula weight	21281.9

*Water molecules are not included.