2YLL

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	BETA-N-ACETYLHEXOSAMINIDASE	polymer	454	50356.1	1	UniProt (P49610) Pfam (PF00728) In PDB	STREPTOCOCCUS PNEUMONIAE	GLYCOSIDE HYDROLASE GH20
2	A	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	A	2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL	non-polymer		354.4	1	Chemie (PE4)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	A	IODIDE ION	non-polymer		126.9	67	Chemie (IOD)
6		water	water		18.0	595	Chemie (HOH)

Sequence modifications

A: 181 - 614 (UniProt: P49610)

PDB	External Database	Details
Met 161	-	expression tag
Gly 162	-	expression tag
Ser 163	-	expression tag
Ser 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
His 167	-	expression tag
His 168	-	expression tag
His 169	-	expression tag
His 170	-	expression tag
Ser 171	-	expression tag
Ser 172	-	expression tag
Gly 173	-	expression tag
Leu 174	-	expression tag
Val 175	-	expression tag
Pro 176	-	expression tag
Arg 177	-	expression tag
Gly 178	-	expression tag
Ala 179	-	expression tag
Met 180	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50356.1
Non-Polymers*	Number of molecules	72
	Total formula weight	9061.3
All*	Total formula weight	59417.4

*Water molecules are not included.