4M4V

Structural evaluation R171L 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)	2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID	non-polymer		291.3	1	Chemie (DAN) PubChem (1553) PubChem (65309) PubChem (196123) PubChem (440392) PubChem (44299597) PubChem (44305374) PubChem (44314809) PubChem (44353094) PubChem (44387099) PubChem (44629965) PubChem (492456) PubChem (49819354) PubChem (57673682) PubChem (50986297) PubChem (68019401) PubChem (71299570) PubChem (71312796) PubChem (93616863) PubChem (13728878) PubChem (101008065) PubChem (5329058) PubChem (102094437) PubChem (132002898) PubChem (15956564) PubChem (133688885)
3	D, H, I (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL) PubChem (753)
4	E, F, J, K (A, B)	NITRATE ION	non-polymer		62.0	4	Chemie (NO3) PubChem (943)
5	G (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
6	L, M (A, B)	water	water		18.0	1188	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
Leu 171	Arg 171	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92465.1
Non-Polymers*	Number of molecules	9
	Total formula weight	838.5
All*	Total formula weight	93303.7

*Water molecules are not included.