9ZBY

Crystal structure of SARS-CoV-2 Omicron BA.1 receptor binding domain in complex with antibodies HB148-M4 and LY-CoV1404

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (H)	Antibody HB148-M4 Fab Heavy Chain	polymer	221	23411.2	1		Homo sapiens
2	B (L)	Antibody HB148-M4 Fab Light Chain	polymer	217	23582.1	1		Homo sapiens
3	C (A)	Antibody LY-CoV1404 Fab Heavy Chain	polymer	222	23719.9	1		Homo sapiens
4	D (B)	Antibody LY-CoV1404 Fab Light Chain	polymer	215	22652.9	1		Homo sapiens
5	E (C)	Spike protein S1	polymer	205	23398.4	1	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
6	F, H, I, J, L... (H, L, C)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
7	G, K (L, C)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4) PubChem (1061)
8	P, Q, R, S, T (H, L, A, B, C)	water	water		18.0	50	Chemie (HOH)

Sequence modifications

C: 333 - 527 (UniProt: P0DTC2)

PDB	External Database	Details
Asp 339	Gly 339	conflict
Leu 371	Ser 371	conflict
Pro 373	Ser 373	conflict
Phe 375	Ser 375	conflict
Asn 417	Lys 417	conflict
Lys 440	Asn 440	conflict
Ser 446	Gly 446	conflict
Asn 477	Ser 477	conflict
Lys 478	Thr 478	conflict
Ala 484	Glu 484	conflict
Arg 493	Gln 493	conflict
Ser 496	Gly 496	conflict
Arg 498	Gln 498	conflict
Tyr 501	Asn 501	conflict
His 505	Tyr 505	conflict
Lys 528	-	expression tag
Lys 529	-	expression tag
Ser 530	-	expression tag
Gly 531	-	expression tag
His 532	-	expression tag
His 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	116764.5
Non-Polymers*	Number of molecules	10
	Total formula weight	686.5
All*	Total formula weight	117451.0

*Water molecules are not included.