3TIB

Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Neuraminidase	polymer	469	52072.3	4	UniProt (Q194T1) Pfam (PF00064) In PDB	Influenza A virus
2	E, G, I, K	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	F, H, J, L	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	4	In PDB GlyTouCan (G81315DD)
4	A, B, C, D	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	A, B, C, D	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid	non-polymer		472.5	4	Chemie (LVO)
6		water	water		18.0	1394	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	208289.3
Branched	Number of molecules	8
	Total formula weight	4692.3
Non-Polymers*	Number of molecules	8
	Total formula weight	2050.4
All*	Total formula weight	215032.1

*Water molecules are not included.