4KH4

Toxoplasma gondii NTPDase1 C258S/C268S in complex with Mg and AMPPNP

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)	Nucleoside-triphosphatase 2	polymer	611	68044.1	2	UniProt (Q27895) Pfam (PF01150)	Toxoplasma gondii	NTPase-II, Nucleoside triphosphate hydrolase 2, Nucleoside-triphosphatase II
2	C, E (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
3	D, F (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)

Sequence modifications

A, B: 26 - 628 (UniProt: Q27895)

PDB	External Database	Details
Met 25	-	initiating methionine
Ser 258	Cys 258	engineered mutation
Ser 268	Cys 268	engineered mutation
Glu 629	-	expression tag
His 630	-	expression tag
His 631	-	expression tag
His 632	-	expression tag
His 633	-	expression tag
His 634	-	expression tag
His 635	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	136088.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1061.0
All*	Total formula weight	137149.2

*Water molecules are not included.