9NH7

CryoEM Structure of De Novo VHH, VHH_flu_01, bound to influenza HA, strain A/USA:Iowa/1943 H1N1.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E (E, F)	VHH_flu_01	polymer	140	15032.7	2		synthetic construct
2	B, C, D (A, B, C)	Hemagglutinin HA1 chain	polymer	321	35923.3	3	UniProt (A4GCK8)	Influenza A virus (strain A/USA:Iowa/1943 H1N1)
3	F, G, H (G, H, I)	Hemagglutinin HA2 chain	polymer	232	26623.5	3	UniProt (A4GCK8)	Influenza A virus (strain A/USA:Iowa/1943 H1N1)
4	I, K, L, M, N (D, K, L, M, N)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	5	In PDB GlyTouCan (G15407YE)
5	J (J)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
6	O, P, Q, R, S... (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	12	Chemie (NAG)

Sequence modifications

A, B, C: 11 - 331 (UniProt: A4GCK8)

PDB	External Database	Details
Phe 101	Tyr 108	conflict
Ile 307	Val 314	conflict

G, H, I: -4 - 175 (UniProt: A4GCK8)

PDB	External Database	Details
Trp 26	His 369	conflict
Ile 51	Lys 394	conflict
Ile 103	Glu 446	conflict
Ser 176	-	expression tag
Gly 177	-	expression tag
Tyr 178	-	expression tag
Ile 179	-	expression tag
Pro 180	-	expression tag
Glu 181	-	expression tag
Ala 182	-	expression tag
Pro 183	-	expression tag
Arg 184	-	expression tag
Asp 185	-	expression tag
Gly 186	-	expression tag
Gln 187	-	expression tag
Ala 188	-	expression tag
Tyr 189	-	expression tag
Val 190	-	expression tag
Arg 191	-	expression tag
Lys 192	-	expression tag
Asp 193	-	expression tag
Gly 194	-	expression tag
Glu 195	-	expression tag
Trp 196	-	expression tag
Val 197	-	expression tag
Leu 198	-	expression tag
Leu 199	-	expression tag
Ser 200	-	expression tag
Thr 201	-	expression tag
Phe 202	-	expression tag
Leu 203	-	expression tag
Gly 204	-	expression tag
Ser 205	-	expression tag
Gly 206	-	expression tag
Leu 207	-	expression tag
Asn 208	-	expression tag
Asp 209	-	expression tag
Ile 210	-	expression tag
Phe 211	-	expression tag
Glu 212	-	expression tag
Ala 213	-	expression tag
Gln 214	-	expression tag
Lys 215	-	expression tag
Ile 216	-	expression tag
Glu 217	-	expression tag
Trp 218	-	expression tag
His 219	-	expression tag
Glu 220	-	expression tag
Gly 221	-	expression tag
His 222	-	expression tag
His 223	-	expression tag
His 224	-	expression tag
His 225	-	expression tag
His 226	-	expression tag
His 227	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	217705.8
Branched	Number of molecules	6
	Total formula weight	3357.1
Non-Polymers*	Number of molecules	12
	Total formula weight	2654.5
All*	Total formula weight	223717.5

*Water molecules are not included.