4D72

Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 2 blood group A-tetrasaccharide (E558A L19 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	68681.2	1	UniProt (A5LBQ0) Pfam (PF08306) Pfam (PF08307) UniProt (by SIFTS) (A0A0H2UKY4) In PDB	STREPTOCOCCUS PNEUMONIAE
2	B	alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		529.5	1	In PDB BIRD (PRD_900036) GlyTouCan (G61459JW)		H type 2 antigen, beta anomer
3	A	2-acetamido-2-deoxy-alpha-D-galactopyranose	non-polymer		221.2	1	Chemie (A2G)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5		water	water		18.0	565	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
His 530	Tyr 532	engineered mutation
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	68681.2
Branched	Number of molecules	1
	Total formula weight	529.5
Non-Polymers*	Number of molecules	3
	Total formula weight	345.3
All*	Total formula weight	69556.0

*Water molecules are not included.