3HG3

Human alpha-galactosidase catalytic mechanism 2. Substrate bound

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	404	46179.4	2	UniProt (P06280) Pfam (PF16499) Pfam (PF17450) In PDB	Homo sapiens (human)	Alpha-D-galactoside galactohydrolase, Alpha-D-galactosidase A, Melibiase
2	C, F	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)
3	D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	E, G	alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900037) GlyTouCan (G54976AD)		alpha-melibiose
5	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
6	A	NONAETHYLENE GLYCOL	non-polymer		414.5	5	Chemie (2PE)
7		water	water		18.0	893	Chemie (HOH)

Sequence modifications

A, B: 32 - 429 (UniProt: P06280)

PDB	External Database	Details
Ala 170	Asp 170	engineered mutation
His 430	-	expression tag
His 431	-	expression tag
His 432	-	expression tag
His 433	-	expression tag
His 434	-	expression tag
His 435	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92358.8
Branched	Number of molecules	5
	Total formula weight	2606.4
Non-Polymers*	Number of molecules	8
	Total formula weight	2736.1
All*	Total formula weight	97701.2

*Water molecules are not included.