6XKG

Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with 6S sulfation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A	Heparan sulfate glucosamine 3-O-sulfotransferase 3A1	polymer	273	31216.0	2	UniProt (Q9Y663) Pfam (PF00685) In PDB	Homo sapiens (Human)	Heparan sulfate D-glucosaminyl 3-O-sulfotransferase 3A1,h3-OST-3A
2	D	2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid	branched		1670.4	1	In PDB GlyTouCan (G99840HT)
3	E	2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid	branched		2129.7	1	In PDB GlyTouCan (G08563GJ)
4	B, A	P-NITROPHENOL	non-polymer		139.1	2	Chemie (NPO)
5	B, A	ADENOSINE-3'-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (A3P)
6	B, A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7	B, A	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
8		water	water		18.0	687	Chemie (HOH)

Sequence modifications

B, A: 139 - 406 (UniProt: Q9Y663)

PDB	External Database	Details
Gly 134	-	expression tag
Ser 135	-	expression tag
Pro 136	-	expression tag
Asn 137	-	expression tag
Ser 138	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	62431.9
Branched	Number of molecules	2
	Total formula weight	3800.1
Non-Polymers*	Number of molecules	13
	Total formula weight	1613.1
All*	Total formula weight	67845.1

*Water molecules are not included.