4CD3

RnNTPDase2 X4 variant in complex with PSB-071

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2	polymer	456	50584.9	1	UniProt (O35795) Pfam (PF01150) In PDB	RATTUS NORVEGICUS (NORWAY RAT)	NTPDASE 2, CD39 ANTIGEN-LIKE 1, ECTO-ATP DIPHOSPHOHYDROLASE 2, ECTO-ATPDASE 2, ECTO-ATPASE 2, NTPDASE2
2	A	1-AMINO-4-(3-METHYLPHENYL)AMINO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE	non-polymer		408.4	2	Chemie (8E9)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4		water	water		18.0	199	Chemie (HOH)

Sequence modifications

A: 28 - 461 (UniProt: O35795)

PDB	External Database	Details
Met 6	-	expression tag
Ala 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
Val 14	-	expression tag
Gly 15	-	expression tag
Thr 16	-	expression tag
Gly 17	-	expression tag
Ser 18	-	expression tag
Asn 19	-	expression tag
Asp 20	-	expression tag
Asp 21	-	expression tag
Asp 22	-	expression tag
Asp 23	-	expression tag
Lys 24	-	expression tag
Ser 25	-	expression tag
Pro 26	-	expression tag
Asp 27	-	expression tag
Leu 127	Pro 127	variant
Leu 128	Phe 128	variant
Glu 153	Glu 153	engineered mutation
Ser 426	Ser 426	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50584.9
Non-Polymers*	Number of molecules	3
	Total formula weight	908.9
All*	Total formula weight	51493.9

*Water molecules are not included.