4D71

Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A X02 mutant)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	GLYCOSIDE HYDROLASE	polymer	596	68706.2	1	UniProt (A5LBQ0) Pfam (PF08306) Pfam (PF08307) UniProt (by SIFTS) (A0A0H2UKY3) In PDB	STREPTOCOCCUS PNEUMONIAE
2	B	alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G74353FF)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	A	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5		water	water		18.0	780	Chemie (HOH)

Sequence modifications

A: 421 - 1003 (UniProt: A5LBQ0)

PDB	External Database	Details
Leu 1004	-	expression tag
Glu 1005	-	expression tag
His 1006	-	expression tag
Pro 1007	-	expression tag
Pro 1008	-	expression tag
Pro 1009	-	expression tag
Pro 1010	-	expression tag
Pro 1011	-	expression tag
Leu 1012	-	expression tag
Arg 1013	-	expression tag
Ser 1014	-	expression tag
Gly 1015	-	expression tag
Cys 1016	-	expression tag
Ala 558	Glu 560	engineered mutation
Ser 559	Asn 561	engineered mutation
Ser 592	Asn 594	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	68706.2
Branched	Number of molecules	1
	Total formula weight	732.7
Non-Polymers*	Number of molecules	5
	Total formula weight	446.3
All*	Total formula weight	69885.2

*Water molecules are not included.