2YL9

INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	BETA-N-ACETYLHEXOSAMINIDASE	polymer	457	51267.5	4	UniProt (P49610) Pfam (PF00728)	STREPTOCOCCUS PNEUMONIAE	GLYCOSIDE HYDROLASE GH20
2	E, F, G, H (E, F, G, H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	4	In PDB GlyTouCan (G13201UL)
3	AA, AB, BA, BB, CA... (B, D, C, A)	1,2-ETHANEDIOL	non-polymer		62.1	46	Chemie (EDO)
4	CB, DB, EB, FB (A, B, C, D)	water	water		18.0	797	Chemie (HOH)

Sequence modifications

A, B, C, D: 627 - 1062 (UniProt: P49610)

PDB	External Database	Details
Met 606	-	expression tag
Gly 607	-	expression tag
Ser 608	-	expression tag
Ser 609	-	expression tag
His 610	-	expression tag
His 611	-	expression tag
His 612	-	expression tag
His 613	-	expression tag
His 614	-	expression tag
His 615	-	expression tag
Ser 616	-	expression tag
Ser 617	-	expression tag
Gly 618	-	expression tag
Leu 619	-	expression tag
Val 620	-	expression tag
Pro 621	-	expression tag
Arg 622	-	expression tag
Gly 623	-	expression tag
Ser 624	-	expression tag
His 625	-	expression tag
Met 626	-	expression tag
Gln 805	Glu 805	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	205070.1
Branched	Number of molecules	4
	Total formula weight	2994.7
Non-Polymers*	Number of molecules	46
	Total formula weight	2855.1
All*	Total formula weight	210920.0

*Water molecules are not included.