9DIO

Crystal structure of H5 hemagglutinin Q226L mutant from the influenza virus A/Texas/37/2024 (H5N1) with LSTc

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, G, I... (A, C, E, G, I...)	Hemagglutinin HA1	polymer	325	36520.4	9	UniProt (A0A8E4ZAK5)	Influenza A virus
2	B, D, F, H, J... (B, D, F, H, J...)	Hemagglutinin HA2	polymer	176	20257.3	9	UniProt (A0A6B7HQ27) UniProt (by SIFTS) (A0A8K1XY81)	Influenza A virus
3	DA, S, W (d, S, W)	N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose	branched		836.7	3	In PDB GlyTouCan (G03509EL)
4	T (T)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	BA, CA, FA, U, V... (b, c, f, U, V...)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	7	In PDB GlyTouCan (G15407YE)
6	Y (Y)	N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		674.6	1	In PDB BIRD (PRD_900046) GlyTouCan (G73578JC)
7	AA (a)	N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose	branched		998.9	1	In PDB GlyTouCan (G28582XU)
8	EA (e)	N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose	branched		836.7	1	In PDB
9	GA, HA, IA, JA, KA... (A, B, C, E, G...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	16	Chemie (NAG)
10	AB, BB, CB, DB, EB... (E, F, G, H, I...)	water	water		18.0	265	Chemie (HOH)

Sequence modifications

A, C, E, G, I, K, M, O, Q: 11 - 324 (UniProt: A0A8E4ZAK5)

PDB	External Database	Details
Ala 7	-	expression tag
Asp 8	-	expression tag
Pro 9	-	expression tag
Gly 10	-	expression tag
Met 111	Leu 120	conflict
Gln 122	Leu 131	engineered mutation
Ile 199	Thr 211	conflict
Ala 214	Val 226	conflict
Leu 226	Gln 238	conflict

B, D, F, H, J, L, N, P, R: 1 - 174 (UniProt: A0A6B7HQ27)

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

Contents of the asymmetric unit

Polymers	Number of chains	18
	Total formula weight	510999.7
Branched	Number of molecules	14
	Total formula weight	9550.7
Non-Polymers*	Number of molecules	16
	Total formula weight	3539.3
All*	Total formula weight	524089.7

*Water molecules are not included.