4WK1

Crystal structure of Staphylococcus aureus PstA in complex with c-di-AMP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	PstA	polymer	129	14017.8	1	UniProt (Q5HIJ4) UniProt (by SIFTS) (A0A0H2WXZ7)	Staphylococcus aureus
2	B (A)	(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide	non-polymer		658.4	1	Chemie (2BA)
3	C (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	D (A)	water	water		18.0	23	Chemie (HOH)

Sequence modifications

A: 1 - 109 (UniProt: Q5HIJ4)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	14017.8
Non-Polymers*	Number of molecules	2
	Total formula weight	698.5
All*	Total formula weight	14716.2

*Water molecules are not included.