9NJ3

Computationally optimized broadly reactive influenza B hemagglutinin BC2 bound by antibodies #46 and #3978

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 (A, B, C)	Hemagglutinin	polymer	530	57375.2	3	UniProt (P17504)	Influenza B virus
2	D, E (H, J)	Fab A Heavy Chain	polymer	239	25610.7	2		Homo sapiens
3	F, G (K, L)	Fab A Light Chain	polymer	217	22910.3	2		Homo sapiens
4	H (Q)	Fab B Heavy Chain	polymer	233	24846.0	1		Homo sapiens
5	I (P)	Fab B Light Chain	polymer	218	23206.6	1		Homo sapiens
6	J, K, M (D, E, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
7	L, N (F, I)	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)
8	O, P, Q (A, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)

Sequence modifications

A, B, C: 1 - 523 (UniProt: P17504)

PDB	External Database	Details
Arg 88	Lys 103	conflict
Asn 116	His 131	conflict
Lys 129	Thr 144	conflict
Arg 136	Lys 151	conflict
Ile 137	Val 152	conflict
Thr 199	Ala 214	conflict
Lys 202	Val 217	conflict
Thr 235	Ala 250	conflict
Val 262	Thr 277	conflict
Ala 293	Arg 308	conflict
Ser 524	-	expression tag
Gly 525	-	expression tag
Arg 526	-	expression tag
Leu 527	-	expression tag
Val 528	-	expression tag
Pro 529	-	expression tag
Arg 530	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	317220.4
Branched	Number of molecules	5
	Total formula weight	2414.3
Non-Polymers*	Number of molecules	3
	Total formula weight	663.6
All*	Total formula weight	320298.3

*Water molecules are not included.