7RDH

Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E	Hemagglutinin HA1 chain	polymer	323	35506.9	3	UniProt (Q91MA7) Pfam (PF00509) In PDB	Influenza A virus (strain A/Hong Kong/1/1968 H3N2)
2	B, D, F	Hemagglutinin HA2 chain	polymer	239	27230.1	3	UniProt (Q91MA7) Pfam (PF00509) In PDB	Influenza A virus (strain A/Hong Kong/1/1968 H3N2)
3	G, H	De novo designed protein H3mb	polymer	77	9390.7	2		Escherichia coli
4	I, J, K, M, O	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	5	In PDB GlyTouCan (G42666HT)
5	L, 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	2	In PDB GlyTouCan (G15407YE)
6	A, C, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
7		water	water		18.0	94	Chemie (HOH)

Sequence modifications

A, C, E: 11 - 329 (UniProt: Q91MA7)

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

B, D, F: 1 - 176 (UniProt: Q91MA7)

PDB	External Database	Details
Gly 123	Arg 468	engineered mutation
Ser 177	-	expression tag
Gly 178	-	expression tag
Gly 179	-	expression tag
Gly 180	-	expression tag
Gly 181	-	expression tag
Leu 182	-	expression tag
Asn 183	-	expression tag
Asp 184	-	expression tag
Ile 185	-	expression tag
Phe 186	-	expression tag
Glu 187	-	expression tag
Ala 188	-	expression tag
Gln 189	-	expression tag
Lys 190	-	expression tag
Ile 191	-	expression tag
Glu 192	-	expression tag
Trp 193	-	expression tag
His 194	-	expression tag
Glu 195	-	expression tag
Arg 196	-	expression tag
Leu 197	-	expression tag
Val 198	-	expression tag
Pro 199	-	expression tag
Arg 200	-	expression tag
Gly 201	-	expression tag
Ser 202	-	expression tag
Pro 203	-	expression tag
Gly 204	-	expression tag
Ser 205	-	expression tag
Gly 206	-	expression tag
Tyr 207	-	expression tag
Ile 208	-	expression tag
Pro 209	-	expression tag
Glu 210	-	expression tag
Ala 211	-	expression tag
Pro 212	-	expression tag
Arg 213	-	expression tag
Asp 214	-	expression tag
Gly 215	-	expression tag
Gln 216	-	expression tag
Ala 217	-	expression tag
Tyr 218	-	expression tag
Val 219	-	expression tag
Arg 220	-	expression tag
Lys 221	-	expression tag
Asp 222	-	expression tag
Gly 223	-	expression tag
Glu 224	-	expression tag
Trp 225	-	expression tag
Val 226	-	expression tag
Leu 227	-	expression tag
Leu 228	-	expression tag
Ser 229	-	expression tag
Thr 230	-	expression tag
Phe 231	-	expression tag
Leu 232	-	expression tag
Gly 233	-	expression tag
His 234	-	expression tag
His 235	-	expression tag
His 236	-	expression tag
His 237	-	expression tag
His 238	-	expression tag
His 239	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	206992.4
Branched	Number of molecules	7
	Total formula weight	3295.1
Non-Polymers*	Number of molecules	5
	Total formula weight	1106.0
All*	Total formula weight	211393.6

*Water molecules are not included.