9XA4

Structure of the Omicron BA.4/5 Spike N-terminal domain(NTD) in complex with the AC2 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (L)	AC2 light chain	polymer	215	22946.3	1		Homo sapiens
2	B (H)	AC2 heavy chain	polymer	240	26098.4	1		Homo sapiens
3	C (A)	Spike protein S1	polymer	293	33497.6	1	UniProt (P0DTC2) Pfam (PF16451)	Severe acute respiratory syndrome coronavirus 2
4	D (B)	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	E (C)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
6	F, G, H, I, J... (L, H)	1,2-ETHANEDIOL	non-polymer		62.1	21	Chemie (EDO)
7	AA (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG) PubChem (24139)
8	BA, CA, DA (L, H, A)	water	water		18.0	90	Chemie (HOH)

Sequence modifications

A: 14 - 300 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 19	Thr 19	variant
-	Leu 24	deletion
-	Pro 25	deletion
-	Pro 26	deletion
Ser 24	Ala 27	variant
-	His 69	deletion
-	Val 70	deletion
Asp 137	Gly 142	variant
Gly 208	Val 213	variant
His 301	-	expression tag
His 302	-	expression tag
His 303	-	expression tag
His 304	-	expression tag
His 305	-	expression tag
His 306	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	82542.3
Branched	Number of molecules	2
	Total formula weight	1010.9
Non-Polymers*	Number of molecules	22
	Total formula weight	1524.6
All*	Total formula weight	85077.9

*Water molecules are not included.