6C0M

The synthesis, biological evaluation and structural insights of unsaturated 3-N-substituted sialic acids as probes of human parainfluenza virus-3 haemagglutinin-neuraminidase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Hemagglutinin-neuraminidase	polymer	431	48081.6	2	UniProt (G8G134) Pfam (PF00423) In PDB	Human respirovirus 3
2	C	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		748.7	1	In PDB GlyTouCan (G81315DD)
3	D	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
4	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
6	A, B	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
7	A, B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
8	A, B	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid	non-polymer		462.5	3	Chemie (8LM)
9	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
10		water	water		18.0	479	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96163.2
Branched	Number of molecules	2
	Total formula weight	1335.2
Non-Polymers*	Number of molecules	14
	Total formula weight	2476.4
All*	Total formula weight	99974.8

*Water molecules are not included.