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STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS 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 (A, B)	INFLUENZA A SUBTYPE N2 NEURAMINIDASE	polymer	388	43141.0	2	UniProt (P06820) Pfam (PF00064)	Influenza A virus (strain A/Tokyo/3/1967 H2N2)
2	C, G (C, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	D (D)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G86566TX)
4	E, I (E, I)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	2	In PDB GlyTouCan (G56014GC)
5	F, J (F, J)	2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G07375KG)
6	H (H)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
7	K, M (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
8	L, N (A, B)	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	non-polymer		194.2	2	Chemie (ST3)

Sequence modifications

A, B: 82 - 469 (UniProt: P06820)

PDB	External Database	Details
Asp 339	Asn 339	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	86282.0
Branched	Number of molecules	8
	Total formula weight	5308.9
Non-Polymers*	Number of molecules	4
	Total formula weight	468.5
All*	Total formula weight	92059.4

*Water molecules are not included.