6IBT

Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol aziridine ME737

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-galactosidase A	polymer	398	45394.5	2	UniProt (P06280) Pfam (PF16499) Pfam (PF17450)	Homo sapiens (Human)	Alpha-D-galactosidase A,Alpha-D-galactoside galactohydrolase,Melibiase
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, E (D, E)	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	2	In PDB GlyTouCan (G81315DD)
4	F (F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	G, Z (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
6	H, K, T, U, V... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
7	I, J, M (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
8	L, X (A, B)	(1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol	non-polymer		175.2	2	Chemie (H9T)
9	AA, BA, N, O, P (B, A)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
10	CA, DA, EA, Q, R... (B, A)	ACETATE ION	non-polymer		59.0	6	Chemie (ACT)
11	FA, GA (A, B)	water	water		18.0	240	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90789.1
Branched	Number of molecules	4
	Total formula weight	2508.3
Non-Polymers*	Number of molecules	25
	Total formula weight	2380.2
All*	Total formula weight	95677.6

*Water molecules are not included.