9HD5

Crystal structure of CD73 (ecto-5'-nucleotidase) in complex with the AOPCP derivative PSB19427 in the closed state

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	5'-nucleotidase	polymer	542	59863.0	2	UniProt (P21589) Pfam (PF00149) Pfam (PF02872)	Homo sapiens (human)	5'-NT,5'-deoxynucleotidase,Ecto-5'-nucleotidase,IMP-specific 5'-nucleotidase,Thymidylate 5'-phosphatase
2	C, D, F, G (A, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	E, H (A, B)	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[[4-[1-(2-fluoranylethyl)-1,2,3-triazol-4-yl]phenyl]methyl-propyl-amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid	non-polymer		705.0	2	Chemie (A1IT6)
4	I, J (A, B)	water	water		18.0	117	Chemie (HOH)

Sequence modifications

A, B: 27 - 549 (UniProt: P21589)

PDB	External Database	Details
Met 26	-	initiating methionine
Asp 53	Asn 53	conflict
Asp 311	Asn 311	conflict
Asp 333	Asn 333	conflict
Asp 403	Asn 403	conflict
Gly 550	-	expression tag
Gly 551	-	expression tag
Gly 552	-	expression tag
Gly 553	-	expression tag
Ala 554	-	expression tag
Gly 555	-	expression tag
Gly 556	-	expression tag
Gly 557	-	expression tag
Gly 558	-	expression tag
Gly 559	-	expression tag
Thr 560	-	expression tag
Lys 561	-	expression tag
His 562	-	expression tag
His 563	-	expression tag
His 564	-	expression tag
His 565	-	expression tag
His 566	-	expression tag
His 567	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	119726.0
Non-Polymers*	Number of molecules	6
	Total formula weight	1671.6
All*	Total formula weight	121397.6

*Water molecules are not included.