4DO5

Pharmacological chaperones for human alpha-N-acetylgalactosaminidase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Alpha-N-acetylgalactosaminidase	polymer	400	45582.9	2	UniProt (P17050) Pfam (PF16499) Pfam (PF17450) In PDB	Homo sapiens (human)	Alpha-galactosidase B
2	C, E	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, F	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	2	In PDB GlyTouCan (G22768VO)
4	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
5	A, B	(2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol	non-polymer		163.2	2	Chemie (DGJ)
6	A, B	CITRIC ACID	non-polymer		192.1	2	Chemie (CIT)
7	A, B	GLYCEROL	non-polymer		92.1	14	Chemie (GOL)
8		water	water		18.0	1022	Chemie (HOH)

Sequence modifications

A, B: 18 - 411 (UniProt: P17050)

PDB	External Database	Details
Gln 201	Asn 201	engineered mutation
His 412	-	expression tag
His 413	-	expression tag
His 414	-	expression tag
His 415	-	expression tag
His 416	-	expression tag
His 417	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91165.7
Branched	Number of molecules	4
	Total formula weight	2670.4
Non-Polymers*	Number of molecules	20
	Total formula weight	2442.3
All*	Total formula weight	96278.5

*Water molecules are not included.