4D6F

Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A, X01 mutant)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	GLYCOSIDE HYDROLASE	polymer	599	69047.6	1	UniProt (A5LBQ0)	STREPTOCOCCUS PNEUMONIAE
2	B (B)	alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G66163TI)
3	C, D (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	E (A)	water	water		18.0	636	Chemie (HOH)

Sequence modifications

A: 421 - 1003 (UniProt: A5LBQ0)

PDB	External Database	Details
Ala 558	Glu 560	engineered mutation
Ser 559	Asn 561	engineered mutation
Val 592	Asn 594	engineered mutation
Leu 1004	-	expression tag
Glu 1005	-	expression tag
His 1006	-	expression tag
Thr 1007	-	expression tag
Arg 1008	-	expression tag
Ala 1009	-	expression tag
Pro 1010	-	expression tag
Pro 1011	-	expression tag
Pro 1012	-	expression tag
Pro 1013	-	expression tag
Pro 1014	-	expression tag
Leu 1015	-	expression tag
Arg 1016	-	expression tag
Ser 1017	-	expression tag
Gly 1018	-	expression tag
Cys 1019	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	69047.6
Branched	Number of molecules	1
	Total formula weight	732.7
Non-Polymers*	Number of molecules	2
	Total formula weight	124.1
All*	Total formula weight	69904.4

*Water molecules are not included.