9XGO

Omicron-specific ultra-potent SARS-CoV-2 neutralizing antibodies targeting the N1/N2 loop of Spike N-terminal domain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (H)	BD58-0730 heavy chain	polymer	121	13364.9	1		Homo sapiens (human)
2	B (L)	BD58-0730 light chain	polymer	112	11718.8	1		Homo sapiens (human)
3	C (N)	Spike protein S1	polymer	285	32433.5	1	UniProt (P0DTC2) Pfam (PF16451)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)
4	D (R)	Spike glycoprotein	polymer	223	25110.4	1	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	S glycoprotein,E2,Peplomer protein
5	E, F, G, H, I... (N, R)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)

Sequence modifications

N: 15 - 303 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 19	Thr 19	variant
-	Leu 24	deletion
-	Pro 25	deletion
-	Pro 26	deletion
Ser 27	Ala 27	variant
Ala 83	Val 83	variant
Asp 142	Gly 142	variant
-	Tyr 144	deletion
Gln 146	His 146	variant
Glu 183	Gln 183	variant
Glu 213	Val 213	variant

R: 323 - 545 (UniProt: P0DTC2)

PDB	External Database	Details
His 339	Gly 339	variant
Thr 346	Arg 346	variant
Ile 368	Leu 368	variant
Phe 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Ala 376	Thr 376	variant
Asn 405	Asp 405	variant
Ser 408	Arg 408	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Pro 445	Val 445	variant
Ser 446	Gly 446	variant
Lys 460	Asn 460	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Pro 486	Phe 486	variant
Ser 490	Phe 490	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	82627.6
Non-Polymers*	Number of molecules	7
	Total formula weight	1548.5
All*	Total formula weight	84176.1

*Water molecules are not included.