4H2B

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	5'-nucleotidase	polymer	547	60561.4	1	UniProt (P21589) Pfam (PF00149) Pfam (PF02872) In PDB	Homo sapiens (human)	5'-NT, Ecto-5'-nucleotidase
2	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A	5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid	non-polymer		446.4	1	Chemie (0XE)
4	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	406	Chemie (HOH)

Sequence modifications

A: 27 - 549 (UniProt: P21589)

PDB	External Database	Details
Met 3	-	INITIATING METHIONINE
Ala 4	-	EXPRESSION TAG
His 5	-	EXPRESSION TAG
His 6	-	EXPRESSION TAG
His 7	-	EXPRESSION TAG
His 8	-	EXPRESSION TAG
His 9	-	EXPRESSION TAG
His 10	-	EXPRESSION TAG
Val 11	-	EXPRESSION TAG
Gly 12	-	EXPRESSION TAG
Thr 13	-	EXPRESSION TAG
Gly 14	-	EXPRESSION TAG
Ser 15	-	EXPRESSION TAG
Asn 16	-	EXPRESSION TAG
Asp 17	-	EXPRESSION TAG
Asp 18	-	EXPRESSION TAG
Asp 19	-	EXPRESSION TAG
Asp 20	-	EXPRESSION TAG
Lys 21	-	EXPRESSION TAG
Ser 22	-	EXPRESSION TAG
Pro 23	-	EXPRESSION TAG
Asp 24	-	EXPRESSION TAG
Pro 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	60561.4
Non-Polymers*	Number of molecules	5
	Total formula weight	652.7
All*	Total formula weight	61214.2

*Water molecules are not included.