3I46

Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant with bound calcium ions

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)	Beta-hemolysin	polymer	317	36092.2	2	UniProt (A7LAI8) Pfam (PF03372)	Staphylococcus aureus
2	C, D, G, H (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
3	E, F (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	I, J (A, B)	water	water		18.0	35	Chemie (HOH)

Sequence modifications

A, B: 2 - 297 (UniProt: A7LAI8)

PDB	External Database	Details
Met -19	-	expression tag
Arg -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Met 1	-	expression tag
Ala 277	Phe 310	engineered mutation
Ala 278	Pro 311	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72184.3
Non-Polymers*	Number of molecules	6
	Total formula weight	231.2
All*	Total formula weight	72415.5

*Water molecules are not included.