3P5S

Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex

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)	CD38 molecule	polymer	278	31587.1	2	UniProt (Q9TTF5) Pfam (PF02267)	Bos taurus (bovine cow domestic cattle domestic cow)	Ecto-NAD+ glycohydrolase
2	C, F (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
3	D, G (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	E, H (A, B)	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate	non-polymer		545.3	2	Chemie (AVU)
5	I, J (A, B)	water	water		18.0	341	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63174.3
Non-Polymers*	Number of molecules	6
	Total formula weight	1725.2
All*	Total formula weight	64899.4

*Water molecules are not included.