6NWZ

Crystal structure of Agd3 a novel carbohydrate deacetylase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Carbohydrate deacetylase Agd3	polymer	684	74464.2	1	UniProt (Q4WX15) In PDB	Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100) (Aspergillus fumigatus)
2	B, C	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
4	A	alpha-D-mannopyranose	non-polymer		180.2	1	Chemie (MAN)
5	A	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6	A	ZINC ION	non-polymer		65.4	6	Chemie (ZN)
7		water	water		18.0	120	Chemie (HOH)

Sequence modifications

A: 141 - 806 (UniProt: Q4WX15)

PDB	External Database	Details
Met 123	-	initiating methionine
Gly 124	-	expression tag
Ser 125	-	expression tag
Ser 126	-	expression tag
His 127	-	expression tag
His 128	-	expression tag
His 129	-	expression tag
His 130	-	expression tag
His 131	-	expression tag
His 132	-	expression tag
Ser 133	-	expression tag
Ser 134	-	expression tag
Gly 135	-	expression tag
Leu 136	-	expression tag
Val 137	-	expression tag
Pro 138	-	expression tag
Arg 139	-	expression tag
Gly 140	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	74464.2
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	11
	Total formula weight	900.2
All*	Total formula weight	76213.2

*Water molecules are not included.