6YGG

NADase from Aspergillus fumigatus complexed with a substrate anologue

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)	AfNADase	polymer	248	27680.1	2	UniProt (Q4WL81) Pfam (PF14021)	Aspergillus fumigatus Af293
2	C, E, F, G (C, E, F, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	4	In PDB GlyTouCan (G21290RB)
3	D (D)	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G86851RC)
4	H (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
5	I, L (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	J (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7	K (B)	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylphenyl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)	non-polymer		662.4	1	Chemie (DQV)
8	M, N (A, B)	water	water		18.0	458	Chemie (HOH)

Sequence modifications

A, B: 1 - 234 (UniProt: Q4WL81)

PDB	External Database	Details
Asp 235	-	expression tag
Val 236	-	expression tag
Leu 237	-	expression tag
Phe 238	-	expression tag
Gln 239	-	expression tag
Gly 240	-	expression tag
Pro 241	-	expression tag
Gly 242	-	expression tag
His 243	-	expression tag
His 244	-	expression tag
His 245	-	expression tag
His 246	-	expression tag
His 247	-	expression tag
His 248	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	55360.2
Branched	Number of molecules	5
	Total formula weight	2649.5
Non-Polymers*	Number of molecules	5
	Total formula weight	986.8
All*	Total formula weight	58996.5

*Water molecules are not included.