5TCD

Human alkaline sphingomyelinase (ENPP7) in complex with phosphocholine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Ectonucleotide pyrophosphatase/phosphodiesterase family member 7	polymer	422	48379.5	1	UniProt (Q6UWV6) Pfam (PF01663)	Homo sapiens (Human)	NPP-7,Alkaline sphingomyelin phosphodiesterase,Intestinal alkaline sphingomyelinase,Alk-SMase
2	B, C (B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	D (D)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
4	E (E)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
5	F, G (A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	H (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
7	I (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
8	AA, BA, CA, DA, EA... (A)	IODIDE ION	non-polymer		126.9	37	Chemie (IOD)
9	UA (A)	PHOSPHOCHOLINE	non-polymer		184.2	1	Chemie (PC)
10	VA (A)	water	water		18.0	205	Chemie (HOH)

Sequence modifications

A: 22 - 433 (UniProt: Q6UWV6)

PDB	External Database	Details
Asp 12	-	expression tag
Arg 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
Lys 20	-	expression tag
Leu 21	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48379.5
Branched	Number of molecules	4
	Total formula weight	2005.9
Non-Polymers*	Number of molecules	42
	Total formula weight	5254.6
All*	Total formula weight	55640.0

*Water molecules are not included.