3R2X

Crystal structure of the de novo designed binding protein HB36.3 in complex the the 1918 influenza 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	Hemagglutinin	polymer	331	36452.8	1	UniProt (Q9WFX3) Pfam (PF00509) In PDB	Influenza A virus	1918 hemagglutinin receptor binding domain
2	B	Hemagglutinin	polymer	179	20394.4	1	UniProt (Q9WFX3) Pfam (PF00509) In PDB	Influenza A virus	1918 hemagglutinin fusion subunit
3	C	HB36.3, designed hemagglutinin binding protein	polymer	93	10605.2	1		artificial gene
4	D	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G81315DD)
5	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)

Sequence modifications

A: 11 - 329 (UniProt: Q9WFX3)

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

B: 1 - 176 (UniProt: Q9WFX3)

PDB	External Database	Details
Ser 177	-	expression tag
Gly 178	-	expression tag
Arg 179	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	67452.4
Branched	Number of molecules	1
	Total formula weight	748.7
Non-Polymers*	Number of molecules	1
	Total formula weight	221.2
All*	Total formula weight	68422.3

*Water molecules are not included.