4M4U

Structural evaluation D84A mutant of the aspergillus fumigatus kdnase (sialidase)

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)	Extracellular sialidase/neuraminidase, putative	polymer	422	46232.6	2	UniProt (Q4WQS0) Pfam (PF13088)	Aspergillus fumigatus
2	C (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
3	D, E, F, H, J... (A, B)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
4	G, M (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5	I (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	N, P (B)	NITRATE ION	non-polymer		62.0	2	Chemie (NO3)
7	O (B)	NITRITE ION	non-polymer		46.0	1	Chemie (NO2)
8	Q, R (A, B)	water	water		18.0	1162	Chemie (HOH)

Sequence modifications

A, B: 1 - 406 (UniProt: Q4WQS0)

PDB	External Database	Details
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 84	Asp 84	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92465.2
Non-Polymers*	Number of molecules	14
	Total formula weight	1063.1
All*	Total formula weight	93528.2

*Water molecules are not included.