7WI0

SARS-CoV-2 Omicron variant spike in complex with three human neutralizing antibodies

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Spike protein S1	polymer	195	22167.0	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Homo sapiens (human)
2	B	XMA04 heavy chain variable domain	polymer	124	13517.0	1		Homo sapiens
3	C	XMA01 heavy chain variable domain	polymer	122	13198.6	1		Homo sapiens
4	D	IGL c4029_light_IGKV1-39_IGKJ2	polymer	107	11616.9	1	UniProt (A0A5C2G4I7) Pfam (PF07686) In PDB	Homo sapiens (human)
5	E	IG c934_light_IGKV1-5_IGKJ1	polymer	107	11781.1	1	UniProt (A0A5C2GTV1) Pfam (PF07686) In PDB	Homo sapiens (human)
6	H	XMA09 heavy chain variable domain	polymer	123	13272.7	1		Homo sapiens
7	L	IG c1437_light_IGLV1-40_IGLJ1	polymer	110	11374.4	1	UniProt (A0A5C2GVU3) Pfam (PF07686) In PDB	Homo sapiens (human)
8	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)

Sequence modifications

A: 333 - 527 (UniProt: P0DTC2)

PDB	External Database	Details
Asp 339	Gly 339	variant
Leu 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Ser 446	Gly 446	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Arg 493	Gln 493	variant
Ser 496	Gly 496	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant

D: 1 - 107 (UniProt: A0A5C2G4I7)

PDB	External Database	Details
Asn 31	Ser 31	conflict
Phe 32	Tyr 32	conflict
Ser 97	Thr 97	conflict

E: 1 - 107 (UniProt: A0A5C2GTV1)

PDB	External Database	Details
Val 9	Ser 9	conflict
Ser 10	Thr 10	conflict
Thr 31	Ser 31	conflict
Glu 50	Lys 50	conflict
Phe 91	Tyr 91	conflict
Tyr 94	Ser 94	conflict

L: 1 - 110 (UniProt: A0A5C2GVU3)

PDB	External Database	Details
Ser 31	Ala 31	conflict
Leu 48	Arg 48	conflict
-	Tyr 100	deletion

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	96927.7
Non-Polymers*	Number of molecules	1
	Total formula weight	221.2
All*	Total formula weight	97148.9

*Water molecules are not included.