4H1Y

Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with PSB11552

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (P)	5'-nucleotidase	polymer	546	60464.3	1	UniProt (P21589) Pfam (PF00149) Pfam (PF02872)	Homo sapiens (human)	5'-NT, Ecto-5'-nucleotidase
2	B, C (P)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D (P)	2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name)	non-polymer		473.4	1	Chemie (0YQ)
4	E (P)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	F (P)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	G (P)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
7	H (P)	water	water		18.0	615	Chemie (HOH)

Sequence modifications

P: 27 - 549 (UniProt: P21589)

PDB	External Database	Details
Met 4	-	initiating methionine
Ala 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
Val 12	-	expression tag
Gly 13	-	expression tag
Thr 14	-	expression tag
Gly 15	-	expression tag
Ser 16	-	expression tag
Asn 17	-	expression tag
Asp 18	-	expression tag
Asp 19	-	expression tag
Asp 20	-	expression tag
Asp 21	-	expression tag
Lys 22	-	expression tag
Ser 23	-	expression tag
Pro 24	-	expression tag
Asp 25	-	expression tag
Pro 26	-	expression tag
Asp 53	Asn 53	engineered mutation
Ser 145	Lys 145	engineered mutation
Ser 147	Lys 147	engineered mutation
Asp 311	Asn 311	engineered mutation
Asp 333	Asn 333	engineered mutation
Ala 376	Thr 376	variant
Asp 403	Asn 403	engineered mutation
Ser 478	Lys 478	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	60464.3
Non-Polymers*	Number of molecules	6
	Total formula weight	771.8
All*	Total formula weight	61236.2

*Water molecules are not included.