4DO6

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 (A, B)	Alpha-N-acetylgalactosaminidase	polymer	400	45582.9	2	UniProt (P17050) Pfam (PF16499) Pfam (PF17450)	Homo sapiens	Alpha-galactosidase B
2	C (C)	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)
3	D, F (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	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	G, K (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
6	H (A)	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
7	I, J, N (A, B)	alpha-D-glucopyranose	non-polymer		180.2	3	Chemie (GLC)
8	L, O (B)	NONAETHYLENE GLYCOL	non-polymer		414.5	2	Chemie (2PE)
9	M (B)	beta-D-glucopyranose	non-polymer		180.2	1	Chemie (BGC)
10	P, Q (A, B)	water	water		18.0	786	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	2978.7
Non-Polymers*	Number of molecules	9
	Total formula weight	2184.1
All*	Total formula weight	96328.6

*Water molecules are not included.