8IFY

Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 spike protein in complex with white-tailed deer ACE2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	Spike glycoprotein	polymer	1127	125148.0	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) In PDB	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	E, F	Angiotensin-converting enzyme	polymer	661	76530.5	2	UniProt (A0A6J0Z472) Pfam (PF01401) In PDB	Odocoileus virginianus (white-tailed deer)
3	G, H, I, J, K...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	14	In PDB GlyTouCan (G42666HT)
4	B, C, E, F, A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	25	Chemie (NAG)
5	E, F	ZINC ION	non-polymer		65.4	2	Chemie (ZN)

Sequence modifications

A, B, C: 30 - 1145 (UniProt: P0DTC2)

PDB	External Database	Details
Gln 19	-	expression tag
Cys 20	-	expression tag
Val 21	-	expression tag
Asn 22	-	expression tag
Leu 23	-	expression tag
Ile 24	-	expression tag
Thr 25	-	expression tag
Arg 26	-	expression tag
Thr 27	-	expression tag
Gln 28	-	expression tag
Ser 29	-	expression tag
-	His 69	deletion
-	Val 70	deletion
Asp 142	Gly 142	variant
Gly 213	Val 213	variant
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
Gly 614	Asp 614	variant
Tyr 655	His 655	variant
Lys 679	Asn 679	variant
His 681	Pro 681	variant
Lys 764	Asn 764	variant
Tyr 796	Asp 796	variant
Pro 817	Phe 817	engineered mutation
Pro 892	Ala 892	engineered mutation
Pro 899	Ala 899	engineered mutation
Pro 942	Ala 942	engineered mutation
His 954	Gln 954	variant
Lys 969	Asn 969	variant
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	528505.1
Branched	Number of molecules	14
	Total formula weight	5941.6
Non-Polymers*	Number of molecules	27
	Total formula weight	5661.0
All*	Total formula weight	540107.7

*Water molecules are not included.