5JIL

Crystal structure of rat coronavirus strain New-Jersey Hemagglutinin-Esterase in complex with 4N-acetyl sialic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Hemagglutinin-esterase	polymer	388	43610.7	1	UniProt (Q3HS77) Pfam (PF03996) Pfam (PF02710) In PDB	Rat coronavirus	HE protein,E3 glycoprotein
2	B	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
4	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6	A	methyl 4,5-bisacetamido-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid	non-polymer		364.3	2	Chemie (6KL)
7		water	water		18.0	191	Chemie (HOH)

Sequence modifications

A: 20 - 398 (UniProt: Q3HS77)

PDB	External Database	Details
Leu 18	-	expression tag
Ala 19	-	expression tag
Ala 40	Ser 42	engineered mutation
Ser 399	-	expression tag
Asp 400	-	expression tag
Pro 401	-	expression tag
Leu 402	-	expression tag
Val 403	-	expression tag
Pro 404	-	expression tag
Arg 405	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43610.7
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	11
	Total formula weight	2365.6
All*	Total formula weight	46400.6

*Water molecules are not included.