4C7W

Crystal structure of Mouse Hepatitis virus strain S Hemagglutinin- esterase in complex with 4-O-acetylated 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, B (A, B)	HEMAGGLUTININ-ESTERASE	polymer	386	43503.4	2	UniProt (O55252) Pfam (PF03996) Pfam (PF02710) UniProt (by SIFTS) (P31614)	MURINE HEPATITIS VIRUS
2	C, E, G, I (C, E, G, I)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
3	D, F, H (D, F, H)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	3	In PDB GlyTouCan (G15407YE)
4	J (J)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1235.1	1	In PDB GlyTouCan (G55220VL)
5	K, O (A, B)	methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid	non-polymer		407.4	2	Chemie (SIO)
6	L, P (A, B)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
7	M, N, R, S (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
8	Q (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
9	T, U (A, B)	water	water		18.0	75	Chemie (HOH)

Sequence modifications

A, B: 25 - 403 (UniProt: O55252)

PDB	External Database	Details
Ala 45	Ser 45	engineered mutation
Ser 404	-	expression tag
Asp 405	-	expression tag
Pro 406	-	expression tag
Leu 407	-	expression tag
Val 408	-	expression tag
Pro 409	-	expression tag
Arg 410	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	87006.7
Branched	Number of molecules	8
	Total formula weight	4692.3
Non-Polymers*	Number of molecules	9
	Total formula weight	1869.9
All*	Total formula weight	93568.9

*Water molecules are not included.