6DE3

Crystal structure of the double mutant (R39Q/D52N) of the full-length NT5C2 in the active state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cytosolic purine 5'-nucleotidase	polymer	579	66926.7	1	UniProt (P49902) Pfam (PF05761)	Homo sapiens (Human)	Cytosolic 5'-nucleotidase II
2	B (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
3	C (A)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
4	D (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	E (A)	water	water		18.0	50	Chemie (HOH)

Sequence modifications

A: 1 - 561 (UniProt: P49902)

PDB	External Database	Details
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Gln 39	Arg 39	engineered mutation
Asn 52	Asp 52	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	66926.7
Non-Polymers*	Number of molecules	3
	Total formula weight	626.5
All*	Total formula weight	67553.1

*Water molecules are not included.