4D6D

Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the blood group A-trisaccharide (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 (A)	GLYCOSIDE HYDROLASE	polymer	599	69093.6	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	branched		529.5	1	In PDB GlyTouCan (G00066MO)
3	C, D, E (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	F (A)	water	water		18.0	989	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
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
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	69093.6
Branched	Number of molecules	1
	Total formula weight	529.5
Non-Polymers*	Number of molecules	3
	Total formula weight	186.2
All*	Total formula weight	69809.3

*Water molecules are not included.