7YR3

SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state2)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, C, F	Spike glycoprotein	polymer	1270	141125.5	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	D, G	Angiotensin-converting enzyme 2	polymer	603	69982.6	2	UniProt (Q9BYF1) Pfam (PF01401) In PDB	Homo sapiens (human)	ACE-related carboxypeptidase,Angiotensin-converting enzyme homolog,ACEH,Metalloprotease MPROT15
3	A, E, H, I, J...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	9	In PDB GlyTouCan (G42666HT)
4	B, F, C, G, D	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	53	Chemie (NAG)
5	G, D	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	G, D	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
7		water	water		18.0	142	Chemie (HOH)

Sequence modifications

B, C, F: 4 - 1273 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 22	Thr 19	variant
-	Leu 24	deletion
-	Pro 25	deletion
-	Pro 26	deletion
Ser 27	Ala 27	variant
Asp 142	Gly 142	variant
Glu 147	Lys 147	variant
Arg 152	Trp 152	variant
Leu 157	Phe 157	variant
Val 210	Ile 210	variant
Gly 213	Val 213	variant
Ser 257	Gly 257	variant
His 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
Ser 446	Gly 446	variant
Lys 460	Asn 460	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	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
Ala 683	Arg 683	engineered mutation
Ala 685	Arg 685	engineered mutation
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

D, G: 19 - 615 (UniProt: Q9BYF1)

PDB	External Database	Details
His 616	-	expression tag
His 617	-	expression tag
His 618	-	expression tag
His 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	563341.8
Branched	Number of molecules	9
	Total formula weight	3819.6
Non-Polymers*	Number of molecules	57
	Total formula weight	11925.7
All*	Total formula weight	579087.1

*Water molecules are not included.