8WHU

Spike Trimer of BA.2.86 in complex with two hACE2s

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	1206	134041.2	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	S glycoprotein,E2,Peplomer protein
2	D, E	Processed angiotensin-converting enzyme 2	polymer	597	69153.7	2	UniProt (Q9BYF1) Pfam (PF01401) In PDB	Homo sapiens (human)
3	F, G, H, I, J...	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		383.3	15	In PDB GlyTouCan (G90333CG)
4	A, C, D, B, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	41	Chemie (NAG)
5	D, E	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	D, E	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)

Sequence modifications

A, B, C: 28 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Ala -2	-	expression tag
Thr -1	-	expression tag
Met 0	-	expression tag
Phe 1	-	expression tag
Val 2	-	expression tag
Phe 3	-	expression tag
Leu 4	-	expression tag
Val 5	-	expression tag
Leu 6	-	expression tag
Leu 7	-	expression tag
Pro 8	-	expression tag
Leu 9	-	expression tag
Val 10	-	expression tag
Ser 11	-	expression tag
Ser 12	-	expression tag
Gln 13	-	expression tag
Cys 14	-	expression tag
Val 15	-	expression tag
Met 16	-	expression tag
Pro 17	-	expression tag
Leu 18	-	expression tag
Phe 19	-	expression tag
Asn 20	-	expression tag
Leu 21	-	expression tag
Ile 22	-	expression tag
Thr 23	-	expression tag
Thr 24	-	expression tag
Thr 25	-	expression tag
Gln 26	-	expression tag
Ser 27	-	expression tag
Leu 50	Ser 50	conflict
-	His 69	deletion
-	Val 70	deletion
Phe 127	Val 127	conflict
Asp 143	Gly 142	variant
-	Tyr 144	deletion
Ser 157	Phe 157	conflict
Gly 158	Arg 158	conflict
-	Asn 211	deletion
Ile 212	Leu 212	variant
Gly 213	Val 213	variant
Phe 216	Leu 216	conflict
Asn 245	His 245	conflict
Asp 264	Ala 264	conflict
Val 332	Ile 332	conflict
His 339	Gly 339	variant
Thr 356	Lys 356	conflict
Phe 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Ala 376	Thr 376	variant
Lys 403	Arg 403	conflict
Asn 405	Asp 405	variant
Ser 408	Arg 408	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	conflict
His 445	Val 445	variant
Ser 446	Gly 446	conflict
Asp 450	Asn 450	conflict
Trp 452	Leu 452	conflict
Lys 460	Asn 460	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Lys 481	Asn 481	conflict
-	Val 483	deletion
Lys 484	Glu 484	variant
Pro 486	Phe 486	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant
Lys 554	Glu 554	conflict
Val 570	Ala 570	conflict
Gly 614	Asp 614	variant
Ser 621	Pro 621	conflict
Tyr 655	His 655	variant
Lys 679	Asn 679	variant
Arg 681	Pro 681	variant
Ala 683	Arg 683	conflict
Ala 685	Arg 685	conflict
Lys 764	Asn 764	variant
Tyr 796	Asp 796	variant
Pro 817	Phe 817	conflict
Pro 892	Ala 892	conflict
Pro 899	Ala 899	conflict
Phe 939	Ser 939	conflict
Pro 942	Ala 942	conflict
His 954	Gln 954	variant
Lys 969	Asn 969	variant
Pro 986	Lys 986	variant
Pro 987	Val 987	variant
Leu 1143	Pro 1143	conflict

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	540430.8
Branched	Number of molecules	15
	Total formula weight	5750.2
Non-Polymers*	Number of molecules	45
	Total formula weight	9271.3
All*	Total formula weight	555452.3

*Water molecules are not included.