4MSS

Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyazepane

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Beta-hexosaminidase 1	polymer	350	38116.8	2	UniProt (B4EA43) Pfam (PF00933)	Burkholderia cenocepacia	Family 3 Glycoside hydrolase, NagZ, Beta-hexosaminidase 2
2	C, E (A, B)	N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide	non-polymer		204.2	2	Chemie (2CZ)
3	D, F, G (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4	H, I (A, B)	water	water		18.0	821	Chemie (HOH)

Sequence modifications

A, B: 1 - 342 (UniProt: B4EA43)

PDB	External Database	Details
Met -7	-	expression tag
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76233.5
Non-Polymers*	Number of molecules	5
	Total formula weight	684.7
All*	Total formula weight	76918.3

*Water molecules are not included.