4AZC

Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	BETA-N-ACETYLHEXOSAMINIDASE	polymer	442	49649.8	1	UniProt (P49610) Pfam (PF00728)	STREPTOCOCCUS PNEUMONIAE	GLYCOSIDE HYDROLASE 20
2	B, C, D (B, C, D)	BETA-N-ACETYLHEXOSAMINIDASE	polymer	442	49633.7	3	UniProt (P49610) Pfam (PF00728)	STREPTOCOCCUS PNEUMONIAE	GLYCOSIDE HYDROLASE 20
3	E, K, M, T (A, B, C, D)	(2S,3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol	non-polymer		221.3	4	Chemie (NGW)
4	F, G, H, I, L... (A, B, C)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG)
5	J, Q, R, S (A, C)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	U, V, W, X (A, B, C, D)	water	water		18.0	2051	Chemie (HOH)

Sequence modifications

A: 627 - 1064 (UniProt: P49610)

PDB	External Database	Details
Gly 623	-	expression tag
Ser 624	-	expression tag
His 625	-	expression tag
Met 626	-	expression tag
Lys 1041	Leu 1041	conflict

B, C, D: 627 - 1064 (UniProt: P49610)

PDB	External Database	Details
Gly 623	-	expression tag
Ser 624	-	expression tag
His 625	-	expression tag
Met 626	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	198551.0
Non-Polymers*	Number of molecules	16
	Total formula weight	1327.8
All*	Total formula weight	199878.8

*Water molecules are not included.