9XA5

Structure of the Omicron BA.4/5 Spike N-terminal domain(NTD) in complex with the AC8 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Spike protein S1	polymer	293	33485.6	1	UniProt (P0DTC2) Pfam (PF16451)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)
2	B (B)	AC8 heavy chain	polymer	245	26242.4	1		Homo sapiens
3	C (C)	AC8 light chain	polymer	219	24078.9	1		Homo sapiens
4	D, F, G (D, F, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	3	In PDB GlyTouCan (G21290RB)
5	E (E)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
6	H (H)	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	I, J (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG) PubChem (24139)
8	K, L, M, N, O... (A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)

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
Thr 236	Leu 241	conflict
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	83806.9
Branched	Number of molecules	5
	Total formula weight	2868.7
Non-Polymers*	Number of molecules	9
	Total formula weight	876.9
All*	Total formula weight	87552.5

*Water molecules are not included.