3GSM

Vibrio cholerae family 3 glycoside hydrolase (NagZ) bound to N-Valeryl-PUGNAc

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Beta-hexosaminidase	polymer	340	37714.8	1	UniProt (Q9KU37) Pfam (PF00933) In PDB	Vibrio cholerae	N-acetyl-beta-glucosaminidase, Beta-N-acetylhexosaminidase
2	A	[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate	non-polymer		395.4	1	Chemie (VPU)
3	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4		water	water		18.0	128	Chemie (HOH)

Sequence modifications

A: 1 - 330 (UniProt: Q9KU37)

PDB	External Database	Details
Ala 19	Glu 19	engineered mutation
Ala 22	Gln 22	engineered mutation
Ala 54	Lys 54	engineered mutation
His 331	-	expression tag
His 332	-	expression tag
His 333	-	expression tag
His 334	-	expression tag
His 335	-	expression tag
His 336	-	expression tag
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37714.8
Non-Polymers*	Number of molecules	3
	Total formula weight	579.6
All*	Total formula weight	38294.4

*Water molecules are not included.