4WEF

Structure of the Hemagglutinin-neuraminidase from Human parainfluenza virus type III: complex with difluorosialic 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-neuraminidase glycoprotein	polymer	431	48077.7	2	UniProt (Q6WJ03) Pfam (PF00423)	Human parainfluenza virus 3
2	C, E (C, E)	beta-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		748.7	2	In PDB GlyTouCan (G31886NL)
3	D, F (D, F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G21290RB)
4	G, T (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
5	H, U (A, B)	5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid	non-polymer		327.3	2	Chemie (FSI)
6	I, V (A, B)	(3R,4R,5R,6R)-5-(acetylamino)-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4,5,6-tetrahydropyranium-2-carboxylate	non-polymer		309.2	2	Chemie (DF4)
7	J, K, W (A, B)	(2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid	non-polymer		329.3	3	Chemie (SFJ)
8	AA, BA, CA, L, M... (B, A)	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
9	DA, R (B, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
10	EA, FA (A, B)	water	water		18.0	591	Chemie (HOH)

Sequence modifications

A, B: 142 - 572 (UniProt: Q6WJ03)

PDB	External Database	Details
Gly 408	Ser 408	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96155.4
Branched	Number of molecules	4
	Total formula weight	2638.4
Non-Polymers*	Number of molecules	24
	Total formula weight	4032.2
All*	Total formula weight	102826.0

*Water molecules are not included.