6IBK

Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfamidate ME763

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-galactosidase A	polymer	398	45394.5	2	UniProt (P06280) Pfam (PF16499) Pfam (PF17450) In PDB	Homo sapiens (Human)	Alpha-D-galactosidase A,Alpha-D-galactoside galactohydrolase,Melibiase
2	C	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G81315DD)
3	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, F	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
5	G	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)
6	B, A	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
7	B, A	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)
8	B, A	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
9	B, A	(3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol	non-polymer		255.2	2	Chemie (YTW)
10	B, A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	5	Chemie (PEG)
11	B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
12		water	water		18.0	274	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90789.1
Branched	Number of molecules	5
	Total formula weight	3094.8
Non-Polymers*	Number of molecules	34
	Total formula weight	3240.9
All*	Total formula weight	97124.9

*Water molecules are not included.