8HFX

Cryo-EM structure of SARS-CoV-2 Omicron BA.1 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,Envelope glycoprotein	polymer	1253	139753.3	3	UniProt (P0DTC2) UniProt (M1E1E4) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) Pfam (PF07921) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	S glycoprotein,E2,Peplomer protein
2	E	Angiotensin-converting enzyme	polymer	613	71420.4	1	UniProt (A0A6J0Z472) Pfam (PF01401) In PDB	Odocoileus virginianus texanus
3	D, G, H, I, J...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	17	In PDB GlyTouCan (G42666HT)
4	F	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
5	A, E, B, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	31	Chemie (NAG)
6	E	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

A, B, C: 1 - 1205 (UniProt: P0DTC2)

PDB	External Database	Details
Val 67	Ala 67	variant
-	His 69	deletion
-	Val 70	deletion
Ile 93	Thr 95	variant
-	Gly 142	deletion
-	Val 143	deletion
-	Tyr 144	deletion
Asp 140	Tyr 145	variant
Ile 206	Leu 212	variant
Glu 209	-	insertion
Pro 210	-	insertion
Glu 211	-	insertion
Asp 336	Gly 339	variant
Leu 368	Ser 371	variant
Pro 370	Ser 373	variant
Phe 372	Ser 375	variant
Asn 414	Lys 417	variant
Lys 437	Asn 440	variant
Ser 443	Gly 446	variant
Asn 474	Ser 477	variant
Lys 475	Thr 478	variant
Ala 481	Glu 484	variant
Arg 490	Gln 493	variant
Ser 493	Gly 496	variant
Arg 495	Gln 498	variant
Tyr 498	Asn 501	variant
His 502	Tyr 505	variant
Lys 544	Thr 547	variant
Gly 611	Asp 614	variant
Tyr 652	His 655	variant
Lys 676	Asn 679	variant
His 678	Pro 681	variant
Lys 761	Asn 764	variant
Tyr 793	Asp 796	variant
Pro 814	Phe 817	conflict
Lys 853	Asn 856	variant
Pro 889	Ala 892	conflict
Pro 896	Ala 899	conflict
Pro 939	Ala 942	conflict
His 951	Gln 954	variant
Lys 966	Asn 969	variant
Phe 978	Leu 981	variant
Pro 983	Lys 986	engineered mutation
Pro 984	Val 987	engineered mutation
Gly 1206	-	linker
Ser 1207	-	linker

A, B, C: 1208 - 1236 (UniProt: M1E1E4)

PDB	External Database	Details
Ala 1237	-	expression tag
Trp 1238	-	expression tag
Ser 1239	-	expression tag
His 1240	-	expression tag
Pro 1241	-	expression tag
Gln 1242	-	expression tag
Phe 1243	-	expression tag
Glu 1244	-	expression tag
Lys 1245	-	expression tag
His 1246	-	expression tag
His 1247	-	expression tag
His 1248	-	expression tag
His 1249	-	expression tag
His 1250	-	expression tag
His 1251	-	expression tag
His 1252	-	expression tag
His 1253	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	490680.5
Branched	Number of molecules	18
	Total formula weight	7801.4
Non-Polymers*	Number of molecules	32
	Total formula weight	6922.9
All*	Total formula weight	505404.7

*Water molecules are not included.