9XI2

SARS-CoV-2 Omicron BA.4/5 spike RBD in complex with C807 Fab and ACE2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Processed angiotensin-converting enzyme 2	polymer	602	69717.4	1	UniProt (Q9BYF1)	Homo sapiens (human)
2	B (E)	Spike protein S1	polymer	196	22120.0	1	UniProt (P0DTC2)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)
3	C (H)	Heavy chain of C807 Fab	polymer	228	24110.9	1		Homo sapiens
4	D (L)	Light chain of C807 Fab	polymer	217	22713.0	1		Homo sapiens (human)
5	E (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN) PubChem (32051)
6	F, G, H, I (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG) PubChem (24139)

Sequence modifications

A: 19 - 615 (UniProt: Q9BYF1)

PDB	External Database	Details
Pro 616	-	expression tag
Leu 617	-	expression tag
Val 618	-	expression tag
Pro 619	-	expression tag
Arg 620	-	expression tag

E: 332 - 527 (UniProt: P0DTC2)

PDB	External Database	Details
Asp 339	Gly 339	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
Arg 452	Leu 452	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Val 486	Phe 486	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	138661.3
Non-Polymers*	Number of molecules	5
	Total formula weight	950.2
All*	Total formula weight	139611.5

*Water molecules are not included.