9GTD

Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 4i

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Lysosomal alpha-glucosidase	polymer	952	105432.5	1	UniProt (P10253) Pfam (PF00088) Pfam (PF13802) Pfam (PF01055) Pfam (PF21365)	Homo sapiens (human)	Acid maltase,Aglucosidase alfa
2	B, F (B, F)	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, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	E (E)	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)
5	G (A)	(2~{R},3~{R},4~{R},5~{S})-2-(2-cyclohexylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol	non-polymer		273.4	1	Chemie (A1IO8)
6	H, I, J, K, L (A)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
7	M, N, O (A)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
8	P, Q (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
9	R (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
10	AA, BA, CA, S, T... (A)	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
11	DA (A)	water	water		18.0	484	Chemie (HOH)

Sequence modifications

A: 1 - 952 (UniProt: P10253)

PDB	External Database	Details
Arg 199	His 199	variant
His 223	Arg 223	variant
Ile 780	Val 780	variant

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	105432.5
Branched	Number of molecules	5
	Total formula weight	2576.4
Non-Polymers*	Number of molecules	23
	Total formula weight	1833.1
All*	Total formula weight	109842.0

*Water molecules are not included.