4A5A

Crystal structure of the C258S/C268S variant of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 3 (NTPDase3) in complex with magnesium 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, C, D (A, B, C, D)	NUCLEOSIDE-TRIPHOSPHATASE 1	polymer	611	67625.8	4	UniProt (Q27893) Pfam (PF01150)	TOXOPLASMA GONDII	NTPASE-I, NUCLEOSIDE TRIPHOSPHATE HYDROLASE 1, NUCLEOSIDE-TRIPHOSPHATASE I, NTPDASE3
2	E, G, I, K (A, B, C, D)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	4	Chemie (ANP)
3	F, H, J, L (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)

Sequence modifications

A, B, C, D: 26 - 628 (UniProt: Q27893)

PDB	External Database	Details
Met 25	-	expression tag
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
Ser 258	Cys 258	engineered mutation
Ser 268	Cys 268	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	270503.2
Non-Polymers*	Number of molecules	8
	Total formula weight	2122.0
All*	Total formula weight	272625.2

*Water molecules are not included.