9MQV

Crystal structure of human 1122A11 Fab in complex with influenza virus neuraminidase from A/Singapore/INFIMH-16-0019/2016 (H3N2)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Neuraminidase	polymer	395	43531.6	1	UniProt (A0A5B8WQ58) Pfam (PF00064)	Influenza A virus
2	B (H)	1122A11 FAB IGG1 HEAVY CHAIN	polymer	238	25572.5	1		Homo sapiens (human)
3	C (L)	1122A11 FAB LAMBDA LIGHT CHAIN	polymer	212	22612.1	1		Homo sapiens (human)
4	D, F (B, D)	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)
5	E (C)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1397.2	1	In PDB GlyTouCan (G80966KZ)
6	G (E)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
7	H (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
8	I (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
9	J, K, L (A, H, L)	water	water		18.0	365	Chemie (HOH)

Sequence modifications

A: 82 - 469 (UniProt: A0A5B8WQ58)

PDB	External Database	Details
Gly 75	-	expression tag
Ser 76	-	expression tag
Pro 77	-	expression tag
Ser 78	-	expression tag
Arg 79	-	expression tag
Ser 80	-	expression tag
Gly 81	-	expression tag
Ile 212	Val 212	conflict
Asn 329	Ser 329	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	91716.2
Branched	Number of molecules	4
	Total formula weight	2994.7
Non-Polymers*	Number of molecules	2
	Total formula weight	261.3
All*	Total formula weight	94972.2

*Water molecules are not included.