6CFG

Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Hemagglutinin	polymer	334	37948.0	1	UniProt (Q5EP31) Pfam (PF00509)	Influenza A virus (A/Viet Nam/1203/2004(H5N1))
2	B (B)	Hemagglutinin	polymer	177	20414.5	1	UniProt (Q6DQ18) Pfam (PF00509)	Influenza A virus (A/Viet Nam/1203/2004(H5N1))
3	C, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	E, F (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
5	G (B)	N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide	non-polymer		537.6	1	Chemie (EZ7)
6	H (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
7	I, J (A, B)	water	water		18.0	93	Chemie (HOH)

Sequence modifications

A: 11 - 333 (UniProt: Q5EP31)

PDB	External Database	Details
Ala 7	-	expression tag
Asp 8	-	expression tag
Pro 9	-	expression tag
Gly 10	-	expression tag

B: 1 - 174 (UniProt: Q6DQ18)

PDB	External Database	Details
Ser 175	-	expression tag
Gly 176	-	expression tag
Arg 177	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	58362.5
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1086.1
All*	Total formula weight	60297.4

*Water molecules are not included.