5FC6

Murine SMPDL3A in complex with ADP analog AMPCP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Acid sphingomyelinase-like phosphodiesterase 3a	polymer	433	48997.3	1	UniProt (P70158) Pfam (PF00149) Pfam (PF19272) In PDB	Mus musculus (Mouse)	ASM-like phosphodiesterase 3a
2	B, 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	2	In PDB GlyTouCan (G21290RB)
3	C	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	D	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
5	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	A	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
7	A	PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER	non-polymer		425.2	1	Chemie (AP2)
8		water	water		18.0	520	Chemie (HOH)

Sequence modifications

A: 23 - 445 (UniProt: P70158)

PDB	External Database	Details
Asp 13	-	expression tag
Arg 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
Lys 21	-	expression tag
Leu 22	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48997.3
Branched	Number of molecules	4
	Total formula weight	2476.3
Non-Polymers*	Number of molecules	7
	Total formula weight	924.4
All*	Total formula weight	52398.0

*Water molecules are not included.