7P1E

Structure of KDNase from Aspergillus Terrerus in complex with 2,3-difluoro-2-keto-3-deoxynononic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Sialidase domain-containing protein	polymer	410	44602.0	1	UniProt (Q0CMX0) Pfam (PF13088) In PDB	Aspergillus terreus (strain NIH 2624 / FGSC A1156)
2	A	3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid	non-polymer		286.2	1	Chemie (FKD)
3	A	(2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid	non-polymer		288.2	1	Chemie (K99)
4	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
7		water	water		18.0	353	Chemie (HOH)

Sequence modifications

A: 17 - 403 (UniProt: Q0CMX0)

PDB	External Database	Details
Met -6	-	initiating methionine
Gly -5	-	expression tag
Ser -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
Ser 4	-	expression tag
Ser 5	-	expression tag
Gly 6	-	expression tag
Leu 7	-	expression tag
Val 8	-	expression tag
Pro 9	-	expression tag
Arg 10	-	expression tag
Gly 11	-	expression tag
Ser 12	-	expression tag
His 13	-	expression tag
Met 14	-	expression tag
Ala 15	-	expression tag
Ser 16	-	expression tag
Snn 128	Asp 128	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44602.0
Non-Polymers*	Number of molecules	6
	Total formula weight	834.1
All*	Total formula weight	45436.2

*Water molecules are not included.